AA63370
1454682-72-4 | LY3009120
Manufacturer: A2B Chem
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CatalogNumber
AA63370
ChemicalName
LY3009120
CasNumber
1454682-72-4
MolecularFormula
C23H29FN6O
MolecularWeight
424.5144
MdlNumber
MFCD28411374
Smiles
CNc1ncc2c(n1)nc(c(c2)c1cc(NC(=O)NCCC(C)(C)C)c(cc1C)F)C
Complexity
599
Covalently-bondedUnitCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
4.7
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CatalogNumber: AA63370
ChemicalName: LY3009120
CasNumber: 1454682-72-4
MolecularFormula: C23H29FN6O
MolecularWeight: 424.5144
MdlNumber: MFCD28411374
Smiles: CNc1ncc2c(n1)nc(c(c2)c1cc(NC(=O)NCCC(C)(C)C)c(cc1C)F)C
Complexity: 599
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 4.7
CatalogNumber:
AA63370
ChemicalName:
LY3009120
CasNumber:
1454682-72-4
MolecularFormula:
C23H29FN6O
MolecularWeight:
424.5144
MdlNumber:
MFCD28411374
Smiles:
CNc1ncc2c(n1)nc(c(c2)c1cc(NC(=O)NCCC(C)(C)C)c(cc1C)F)C
Complexity:
599
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CCCCN)CC(=O)N)CC(=O)N)Cc1ccccc1)CC(=O)N)CO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CCCCN)CC(=O)N)CC(=O)N)Cc1ccccc1)CC(=O)N)CO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H](CNC(CC(=O)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)cccc2)(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H](CNC(CC(=O)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)cccc2)(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCOC(=O)[C@@H](NC(=O)C)CS
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCOC(=O)[C@@H](NC(=O)C)CS
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__