AE35760
1431697-89-0 | OTSSP167
Manufacturer: A2B Chem
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CatalogNumber
AE35760
ChemicalName
OTSSP167
CasNumber
1431697-89-0
MolecularFormula
C25H28Cl2N4O2
MolecularWeight
487.42141999999984
MdlNumber
MFCD23160047
Smiles
CN(C[C@@H]1CC[C@H](CC1)Nc1c(cnc2c1nc(cc2)c1cc(Cl)c(c(c1)Cl)O)C(=O)C)C
Complexity
648
Covalently-bondedUnitCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
5.6
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CatalogNumber: AE35760
ChemicalName: OTSSP167
CasNumber: 1431697-89-0
MolecularFormula: C25H28Cl2N4O2
MolecularWeight: 487.42141999999984
MdlNumber: MFCD23160047
Smiles: CN(C[C@@H]1CC[C@H](CC1)Nc1c(cnc2c1nc(cc2)c1cc(Cl)c(c(c1)Cl)O)C(=O)C)C
Complexity: 648
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 5.6
CatalogNumber:
AE35760
ChemicalName:
OTSSP167
CasNumber:
1431697-89-0
MolecularFormula:
C25H28Cl2N4O2
MolecularWeight:
487.42141999999984
MdlNumber:
MFCD23160047
Smiles:
CN(C[C@@H]1CC[C@H](CC1)Nc1c(cnc2c1nc(cc2)c1cc(Cl)c(c(c1)Cl)O)C(=O)C)C
Complexity:
648
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
5.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cnc(o1)c1ccccc1C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1cnc(o1)c1ccccc1C
Complexity:
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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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__
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Smiles: Fc1ccc(c(c1)F)Sc1sc(cc1[N+](=O)[O-])C(=O)C
Complexity: __
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Xlogp3: __
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Smiles:
Fc1ccc(c(c1)F)Sc1sc(cc1[N+](=O)[O-])C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
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: O=C1N(C[C@@H]2c3c1cccc3CCC2)[C@@H]1CN2CCC1CC2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1N(C[C@@H]2c3c1cccc3CCC2)[C@@H]1CN2CCC1CC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__