Tepotinib hydrochloride(1 : x)结构式

Tepotinib hydrochloride(1 : x)
中文名称:Tepotinib hydrochloride(1 : x)
英文名称:Tepotinib hydrochloride(1 : x)
CAS No.:1103508-80-0
分子式:C29H29ClN6O2 分子量:529.03
Tepotinib hydrochloride(1 : x) 数据
Mol:
 0  0  0  0  0  0
   -2.0746    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4992   -0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7836    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7890    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2149   -0.9089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5035    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2179    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9344    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9344    1.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6489    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6489    2.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3633    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3633    1.9800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2149    2.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013   -2.4709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  1  3  1  0      
  2  4  1  0
  2  5  1  0
  3  6  2  0
  3  7  1  0
  4  8  2  0
  5  9  2  0      
  5 10  1  0
  6 11  1  0
  7 12  2  0
  8 13  1  0
  8 14  1  0      
 10 13  2  0
 11 15  2  0
 11 16  1  0      
 12 15  1  0
 14 17  2  0
 14 18  1  0
 16 19  1  0
 16 20  2  0
 17 21  1  0
 18 22  2  0
 19 23  2  0
 20 24  1  0
 21 25  1  0      
 21 26  2  0
 22 26  1  0
 23 27  1  0
 24 27  2  0
 25 28  3  0      
 27 29  1  0      
 29 30  1  0      
 30 31  1  0      
 31 32  1  0
 31 33  1  0
 32 34  1  0
 33 35  1  0
 34 36  1  0
 35 36  1  0
 36 37  1  0      
M  END                                
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Tepotinib hydrochloride(1 : x) Smile 编码:
C(C1C=CC=C(C2=NC=C(OCC3CCN(C)CC3)C=N2)C=1)N1C(C=CC(C2C=CC=C(C#N)C=2)=N1)=O.Cl
Tepotinib hydrochloride(1 : x) InChi 编码:
1S/C29H28N6O2.ClH/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30;/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3;1H
Tepotinib hydrochloride(1 : x) InChiKey 编码:
YHHHGHDGBUUWIS-UHFFFAOYSA-N