AE95474
1448346-63-1 | 2-(2-chlorophenyl)-2-{1-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]-N-(5-fluoropyridin-3-yl)formamido}-N-(3,3-difluorocyclobutyl)acetamide
Manufacturer: A2B Chem
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CatalogNumber
AE95474
ChemicalName
2-(2-chlorophenyl)-2-{1-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]-N-(5-fluoropyridin-3-yl)formamido}-N-(3,3-difluorocyclobutyl)acetamide
CasNumber
1448346-63-1
MolecularFormula
C28H22ClF3N6O3
MolecularWeight
582.9609
MdlNumber
MFCD29036964
Smiles
N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N(C(c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F
Complexity
1050
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
41
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
3.4
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CatalogNumber: AE95474
ChemicalName: 2-(2-chlorophenyl)-2-{1-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]-N-(5-fluoropyridin-3-yl)formamido}-N-(3,3-difluorocyclobutyl)acetamide
CasNumber: 1448346-63-1
MolecularFormula: C28H22ClF3N6O3
MolecularWeight: 582.9609
MdlNumber: MFCD29036964
Smiles: N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N(C(c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F
Complexity: 1050
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.4
CatalogNumber:
AE95474
ChemicalName:
2-(2-chlorophenyl)-2-{1-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidin-2-yl]-N-(5-fluoropyridin-3-yl)formamido}-N-(3,3-difluorocyclobutyl)acetamide
CasNumber:
1448346-63-1
MolecularFormula:
C28H22ClF3N6O3
MolecularWeight:
582.9609
MdlNumber:
MFCD29036964
Smiles:
N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N(C(c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F
Complexity:
1050
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.4
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Smiles: CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O
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Smiles:
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O
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__
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Smiles: FCCOc1ccc2c(c1)ccc(n2)c1ccc(cc1)N
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Smiles:
FCCOc1ccc2c(c1)ccc(n2)c1ccc(cc1)N
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__
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Smiles: [CH]=[C]C(=O)[N]C1=[C]C(=[C][C]=[C]1)Oc1nc([N]C2=[C][C]=C([C]=[C]2)N2C=CN(C=C2)[CH2])nc2c1S[C]=[C]2
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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Smiles:
[CH]=[C]C(=O)[N]C1=[C]C(=[C][C]=[C]1)Oc1nc([N]C2=[C][C]=C([C]=[C]2)N2C=CN(C=C2)[CH2])nc2c1S[C]=[C]2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__