AD30761
19741-14-1 | 4-[N-(2,4-Diamino-6-pteridinylmethyl)-n-methylamino]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD30761
ChemicalName
4-[N-(2,4-Diamino-6-pteridinylmethyl)-n-methylamino]benzoic acid
CasNumber
19741-14-1
MolecularFormula
C15H15N7O2
MolecularWeight
325.3253
MdlNumber
MFCD00075774
Smiles
Nc1nc(N)c2c(n1)ncc(n2)CN(c1ccc(cc1)C(=O)O)C
NscNumber
131463
Complexity
444
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
-1.1
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CatalogNumber: AD30761
ChemicalName: 4-[N-(2,4-Diamino-6-pteridinylmethyl)-n-methylamino]benzoic acid
CasNumber: 19741-14-1
MolecularFormula: C15H15N7O2
MolecularWeight: 325.3253
MdlNumber: MFCD00075774
Smiles: Nc1nc(N)c2c(n1)ncc(n2)CN(c1ccc(cc1)C(=O)O)C
NscNumber: 131463
Complexity: 444
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: -1.1
CatalogNumber:
AD30761
ChemicalName:
4-[N-(2,4-Diamino-6-pteridinylmethyl)-n-methylamino]benzoic acid
CasNumber:
19741-14-1
MolecularFormula:
C15H15N7O2
MolecularWeight:
325.3253
MdlNumber:
MFCD00075774
Smiles:
Nc1nc(N)c2c(n1)ncc(n2)CN(c1ccc(cc1)C(=O)O)C
NscNumber:
131463
Complexity:
444
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
-1.1
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Smiles: CC(OC1CCCO1)C
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CC(OC1CCCO1)C
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Smiles: CCC1=C(C)C(=O)NC1=O
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CCC1=C(C)C(=O)NC1=O
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Smiles: CC(Cc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C.Cl
NscNumber: __
Complexity: __
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HeavyAtomCount: __
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CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Cc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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