AE35895
1380432-32-5 | EHop-016
Manufacturer: A2B Chem
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CatalogNumber
AE35895
ChemicalName
EHop-016
CasNumber
1380432-32-5
MolecularFormula
C25H30N6O
MolecularWeight
430.5453
MdlNumber
MFCD23143628
Smiles
CCn1c2ccc(cc2c2c1cccc2)Nc1ccnc(n1)NCCCN1CCOCC1
Complexity
573
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
4.1
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CatalogNumber: AE35895
ChemicalName: EHop-016
CasNumber: 1380432-32-5
MolecularFormula: C25H30N6O
MolecularWeight: 430.5453
MdlNumber: MFCD23143628
Smiles: CCn1c2ccc(cc2c2c1cccc2)Nc1ccnc(n1)NCCCN1CCOCC1
Complexity: 573
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 4.1
CatalogNumber:
AE35895
ChemicalName:
EHop-016
CasNumber:
1380432-32-5
MolecularFormula:
C25H30N6O
MolecularWeight:
430.5453
MdlNumber:
MFCD23143628
Smiles:
CCn1c2ccc(cc2c2c1cccc2)Nc1ccnc(n1)NCCCN1CCOCC1
Complexity:
573
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C)CCc1c([2H])c([2H])c(c(c1[2H])[2H])[2H].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C)CCc1c([2H])c([2H])c(c(c1[2H])[2H])[2H].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C
Complexity: 583
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C
Complexity:
583
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C)N1CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__