AE35717
1234480-84-2 | Lrrk2-in-1
Manufacturer: A2B Chem
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CatalogNumber
AE35717
ChemicalName
Lrrk2-in-1
CasNumber
1234480-84-2
MolecularFormula
C31H38N8O3
MolecularWeight
570.6852
MdlNumber
MFCD22683805
Smiles
COc1cc(ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C)C(=O)N1CCC(CC1)N1CCN(CC1)C
Complexity
939
Covalently-bondedUnitCount
1
HeavyAtomCount
42
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3
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CatalogNumber: AE35717
ChemicalName: Lrrk2-in-1
CasNumber: 1234480-84-2
MolecularFormula: C31H38N8O3
MolecularWeight: 570.6852
MdlNumber: MFCD22683805
Smiles: COc1cc(ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C)C(=O)N1CCC(CC1)N1CCN(CC1)C
Complexity: 939
Covalently-bondedUnitCount: 1
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3
CatalogNumber:
AE35717
ChemicalName:
Lrrk2-in-1
CasNumber:
1234480-84-2
MolecularFormula:
C31H38N8O3
MolecularWeight:
570.6852
MdlNumber:
MFCD22683805
Smiles:
COc1cc(ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C)C(=O)N1CCC(CC1)N1CCN(CC1)C
Complexity:
939
Covalently-bondedUnitCount:
1
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCOc1cccc(c1c1[nH]nc(c1)Nc1cnc(cn1)C#N)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NCCCOc1cccc(c1c1[nH]nc(c1)Nc1cnc(cn1)C#N)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: NC(=O)c1ccc(c(c1)Cl)Oc1ccc(cc1)CN1CCCC1c1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
NC(=O)c1ccc(c(c1)Cl)Oc1ccc(cc1)CN1CCCC1c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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MdlNumber: __
Smiles: Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]12COC[C@H]2CSC(=N1)N)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]12COC[C@H]2CSC(=N1)N)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__