General Information of the Compound
| Compound ID |
CP0008774
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| Compound Name |
N-[6-(2-aminoanilino)-6-oxohexyl]-N-[2-(benzylamino)-2-oxoethyl]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C32H34N4O3
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| Molecular Weight |
522.649
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCCCN(CC(=O)NCc1ccccc1)C(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C32H34N4O3/c33-28-18-8-9-19-29(28)35-30(37)20-5-2-10-21-36(23-31(38)34-22-24-12-3-1-4-13-24)32(39)27-17-11-15-25-14-6-7-16-26(25)27/h1,3-4,6-9,11-19H,2,5,10,20-23,33H2,(H,34,38)(H,35,37)
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| InChIKey |
AIBZWRKVSGALQN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound