General Information of the Compound
| Compound ID |
CP0197992
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| Compound Name |
N-[9-(3-methoxyanilino)-7-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
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| Structure |
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| Formula |
C34H40N6O3
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| Molecular Weight |
580.733
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| Canonical SMILES |
COc1cccc(Nc2c3cc(NC(=O)CCN4CCCC4)ccc3nc3ccc(NC(=O)CCN4CCCC4)cc23)c1
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| InChI |
InChI=1S/C34H40N6O3/c1-43-27-8-6-7-24(21-27)37-34-28-22-25(35-32(41)13-19-39-15-2-3-16-39)9-11-30(28)38-31-12-10-26(23-29(31)34)36-33(42)14-20-40-17-4-5-18-40/h6-12,21-23H,2-5,13-20H2,1H3,(H,35,41)(H,36,42)(H,37,38)
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| InChIKey |
QGDWEQNFZAABJR-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