AA89771
1675201-83-8 | Pd-1/pd-l1 inhibitor 1
Manufacturer: A2B Chem
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CatalogNumber
AA89771
ChemicalName
Pd-1/pd-l1 inhibitor 1
CasNumber
1675201-83-8
MolecularFormula
C29H33NO5
MolecularWeight
475.57601999999974
MdlNumber
MFCD28978741
Smiles
COc1cc(OCc2cccc(c2C)c2ccccc2)cc(c1CN1CCCC[C@H]1C(=O)O)OC
Complexity
639
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
9
Xlogp3
3.4
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CatalogNumber: AA89771
ChemicalName: Pd-1/pd-l1 inhibitor 1
CasNumber: 1675201-83-8
MolecularFormula: C29H33NO5
MolecularWeight: 475.57601999999974
MdlNumber: MFCD28978741
Smiles: COc1cc(OCc2cccc(c2C)c2ccccc2)cc(c1CN1CCCC[C@H]1C(=O)O)OC
Complexity: 639
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 9
Xlogp3: 3.4
CatalogNumber:
AA89771
ChemicalName:
Pd-1/pd-l1 inhibitor 1
CasNumber:
1675201-83-8
MolecularFormula:
C29H33NO5
MolecularWeight:
475.57601999999974
MdlNumber:
MFCD28978741
Smiles:
COc1cc(OCc2cccc(c2C)c2ccccc2)cc(c1CN1CCCC[C@H]1C(=O)O)OC
Complexity:
639
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
9
Xlogp3:
3.4
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MolecularFormula: __
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Smiles: NC(=O)OCC#C
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
NC(=O)OCC#C
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCOC(C#CC(OCC)O)O
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Smiles:
CCOC(C#CC(OCC)O)O
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COC([SiH2]C=C)OC
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC([SiH2]C=C)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__