AB52938
1187594-09-7 | 2-(3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB52938
ChemicalName
2-(3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile
CasNumber
1187594-09-7
MolecularFormula
C16H17N7O2S
MolecularWeight
371.4169
MdlNumber
MFCD21608464
Smiles
N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2
Complexity
678
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
-0.5
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CatalogNumber: AB52938
ChemicalName: 2-(3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile
CasNumber: 1187594-09-7
MolecularFormula: C16H17N7O2S
MolecularWeight: 371.4169
MdlNumber: MFCD21608464
Smiles: N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2
Complexity: 678
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: -0.5
CatalogNumber:
AB52938
ChemicalName:
2-(3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile
CasNumber:
1187594-09-7
MolecularFormula:
C16H17N7O2S
MolecularWeight:
371.4169
MdlNumber:
MFCD21608464
Smiles:
N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2
Complexity:
678
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1c(cccc1c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C(=O)N1CCOCC1)NC(=O)c1ccc(cc1)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1c(cccc1c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C(=O)N1CCOCC1)NC(=O)c1ccc(cc1)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52940
ChemicalName: Apatinib
CasNumber: 811803-05-1
MolecularFormula: C24H23N5O
MolecularWeight: 397.4723
MdlNumber: MFCD21648511
Smiles: N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB52940
ChemicalName:
Apatinib
CasNumber:
811803-05-1
MolecularFormula:
C24H23N5O
MolecularWeight:
397.4723
MdlNumber:
MFCD21648511
Smiles:
N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52941
ChemicalName: H-D-Allo-Thr-OMe HCl
CasNumber: 60538-18-3
MolecularFormula: C5H12ClNO3
MolecularWeight: 169.6067
MdlNumber: MFCD08458597
Smiles: COC(=O)[C@@H]([C@H](O)C)N.Cl
Complexity: 104
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB52941
ChemicalName:
H-D-Allo-Thr-OMe HCl
CasNumber:
60538-18-3
MolecularFormula:
C5H12ClNO3
MolecularWeight:
169.6067
MdlNumber:
MFCD08458597
Smiles:
COC(=O)[C@@H]([C@H](O)C)N.Cl
Complexity:
104
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
__