AF02781
1640292-55-2 | Oclacitinib
Manufacturer: A2B Chem
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CatalogNumber
AF02781
ChemicalName
Oclacitinib
CasNumber
1640292-55-2
MolecularFormula
C19H27N5O6S
MolecularWeight
453.5126
MdlNumber
MFCD25976611
Smiles
OC(=O)C=CC(=O)O.CNS(=O)(=O)CC1CCC(CC1)N(c1ncnc2c1cc[nH]2)C
Complexity
606
Covalently-bondedUnitCount
2
HeavyAtomCount
31
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
4
RotatableBondCount
7
UndefinedBondStereocenterCount
1
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CatalogNumber: AF02781
ChemicalName: Oclacitinib
CasNumber: 1640292-55-2
MolecularFormula: C19H27N5O6S
MolecularWeight: 453.5126
MdlNumber: MFCD25976611
Smiles: OC(=O)C=CC(=O)O.CNS(=O)(=O)CC1CCC(CC1)N(c1ncnc2c1cc[nH]2)C
Complexity: 606
Covalently-bondedUnitCount: 2
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 4
RotatableBondCount: 7
UndefinedBondStereocenterCount: 1
CatalogNumber:
AF02781
ChemicalName:
Oclacitinib
CasNumber:
1640292-55-2
MolecularFormula:
C19H27N5O6S
MolecularWeight:
453.5126
MdlNumber:
MFCD25976611
Smiles:
OC(=O)C=CC(=O)O.CNS(=O)(=O)CC1CCC(CC1)N(c1ncnc2c1cc[nH]2)C
Complexity:
606
Covalently-bondedUnitCount:
2
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
4
RotatableBondCount:
7
UndefinedBondStereocenterCount:
1
CatalogNumber: __
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Smiles: COc1cc2c(cc1OC)cc1c(c2c2ccc3c(c2)OCO3)C(=O)OC1
Complexity: __
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Smiles:
COc1cc2c(cc1OC)cc1c(c2c2ccc3c(c2)OCO3)C(=O)OC1
Complexity:
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Smiles: CCOC(=O)c1cnc(nc1)NC1(CC1)c1ccccc1
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Smiles:
CCOC(=O)c1cnc(nc1)NC1(CC1)c1ccccc1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedBondStereocenterCount:
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