General Information of the Compound
| Compound ID |
CP0176421
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| Compound Name |
N-[9-[2-(1-methylpyrrolidin-2-yl)ethylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
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| Structure |
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| Formula |
C34H47N7O2
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| Molecular Weight |
585.797
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| Canonical SMILES |
CN1CCCC1CCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
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| InChI |
InChI=1S/C34H47N7O2/c1-39-16-6-7-27(39)12-15-35-34-28-10-8-25(36-32(42)13-21-40-17-2-3-18-40)23-30(28)38-31-24-26(9-11-29(31)34)37-33(43)14-22-41-19-4-5-20-41/h8-11,23-24,27H,2-7,12-22H2,1H3,(H,35,38)(H,36,42)(H,37,43)
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| InChIKey |
IIEHDTILAPRTIU-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