General Information of the Compound
| Compound ID |
CP0366334
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| Compound Name |
N-[9-[4-(dimethylamino)anilino]-7-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
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| Structure |
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| Formula |
C35H43N7O2
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| Molecular Weight |
593.776
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| Canonical SMILES |
CN(C)c1ccc(Nc2c3cc(NC(=O)CCN4CCCC4)ccc3nc3ccc(NC(=O)CCN4CCCC4)cc23)cc1
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| InChI |
InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-23-26(36-33(43)15-21-41-17-3-4-18-41)9-13-31(29)39-32-14-10-27(24-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)
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| InChIKey |
INVNMQKEIVCKFW-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