C1CN(CC(C1NCC2=CC3=C(C=N2)OCS3)O)CC4CN5C(=O)C=CC6=NC=C(C4=C65)Cl.Cl
이름: 5-chloro-3-[[(3R,4S)-3-hydroxy-4-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one;hydrochloride
SMILES: C1CN(CC(C1NCC2=CC3=C(C=N2)OCS3)O)CC4CN5C(=O)C=CC6=NC=C(C4=C65)Cl.Cl

Molecular Processing

Molecular formula
C23H25Cl2N5O3S
Molecular weight
522.46
Exact mass
521.1055
XLogP
2.63
TPSA
92.51
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.435
Molar refractivity
134.28

Supplementary Information

InChIKey: DWFQIQVBZXFXST-PJTDIPLYSA-N
동의어
SCHEMBL3553959DWFQIQVBZXFXST-PJTDIPLYSA-N3-chloro-4-({(3r,4s)-3-hydroxy-4-[([1,3]oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-4,5-dihydro-7h-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one hydrochloride
출처 보기 →
1개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→