General Information of the Compound
| Compound ID |
CP0303767
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| Compound Name |
N-[9-(4-aminoanilino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
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| Structure |
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| Formula |
C33H39N7O2
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| Molecular Weight |
565.722
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| Canonical SMILES |
Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3ccc(NC(=O)CCN4CCCC4)cc23)cc1
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| InChI |
InChI=1S/C33H39N7O2/c34-23-5-7-24(8-6-23)37-33-27-11-9-26(36-32(42)14-20-40-17-3-4-18-40)22-30(27)38-29-12-10-25(21-28(29)33)35-31(41)13-19-39-15-1-2-16-39/h5-12,21-22H,1-4,13-20,34H2,(H,35,41)(H,36,42)(H,37,38)
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| InChIKey |
IHUXQPBXHKKVJC-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