General Information of the Compound
| Compound ID |
CP0491257
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| Compound Name |
3-(4-methylpiperazin-1-yl)-N-[[5-[[3-(4-methylpiperazin-1-yl)propanoylamino]methyl]acridin-4-yl]methyl]propanamide
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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 |
CN1CCN(CCC(=O)NCc2cccc3cc4cccc(CNC(=O)CCN5CCN(C)CC5)c4nc23)CC1
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| InChI |
InChI=1S/C31H43N7O2/c1-35-13-17-37(18-14-35)11-9-28(39)32-22-26-7-3-5-24-21-25-6-4-8-27(31(25)34-30(24)26)23-33-29(40)10-12-38-19-15-36(2)16-20-38/h3-8,21H,9-20,22-23H2,1-2H3,(H,32,39)(H,33,40)
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| InChIKey |
ZCBZUKLARNGIJM-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