General Information of the Compound
| Compound ID |
CP0104556
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| Compound Name |
N-[9-[2-(dimethylamino)ethylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
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| Structure |
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| Formula |
C31H43N7O2
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| Molecular Weight |
545.732
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| Canonical SMILES |
CN(C)CCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
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| InChI |
InChI=1S/C31H43N7O2/c1-36(2)20-13-32-31-25-9-7-23(33-29(39)11-18-37-14-3-4-15-37)21-27(25)35-28-22-24(8-10-26(28)31)34-30(40)12-19-38-16-5-6-17-38/h7-10,21-22H,3-6,11-20H2,1-2H3,(H,32,35)(H,33,39)(H,34,40)
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| InChIKey |
JKLMYACLSSMSBX-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