General Information of the Compound
| Compound ID |
CP0275281
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| Compound Name |
N-[9-(4-acetylanilino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
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| Structure |
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| Formula |
C35H40N6O3
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| Molecular Weight |
592.744
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| Canonical SMILES |
CC(=O)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
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| InChI |
InChI=1S/C35H40N6O3/c1-24(42)25-6-8-26(9-7-25)38-35-29-12-10-27(36-33(43)14-20-40-16-2-3-17-40)22-31(29)39-32-23-28(11-13-30(32)35)37-34(44)15-21-41-18-4-5-19-41/h6-13,22-23H,2-5,14-21H2,1H3,(H,36,43)(H,37,44)(H,38,39)
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| InChIKey |
MAPRDIJLMRLVKJ-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