AE42338
1421919-75-6 | KPT-276
Manufacturer: A2B Chem
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CatalogNumber
AE42338
ChemicalName
KPT-276
CasNumber
1421919-75-6
MolecularFormula
C16H10F8N4O
MolecularWeight
426.264
MdlNumber
MFCD27937049
Smiles
O=C(N1CC(C1)(F)F)C=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity
620
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
11
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AE42338
ChemicalName: KPT-276
CasNumber: 1421919-75-6
MolecularFormula: C16H10F8N4O
MolecularWeight: 426.264
MdlNumber: MFCD27937049
Smiles: O=C(N1CC(C1)(F)F)C=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 620
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 11
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AE42338
ChemicalName:
KPT-276
CasNumber:
1421919-75-6
MolecularFormula:
C16H10F8N4O
MolecularWeight:
426.264
MdlNumber:
MFCD27937049
Smiles:
O=C(N1CC(C1)(F)F)C=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
620
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
11
RotatableBondCount:
3
Xlogp3:
3.6
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Smiles: CCCCCCCCCCCCCC=CC(C(NC(=O)C(CCCCCCC=CCCCCCCCC)O)CO)O
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Smiles:
CCCCCCCCCCCCCC=CC(C(NC(=O)C(CCCCCCC=CCCCCCCCC)O)CO)O
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Smiles: CCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O)[C@@H]([C@H]([C@@H]2O)OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC)OP(=O)(O)[O-])CO)CCCCCCCCCCC.[NH4+]
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Smiles:
CCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O)[C@@H]([C@H]([C@@H]2O)OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC)OP(=O)(O)[O-])CO)CCCCCCCCCCC.[NH4+]
Complexity:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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