General Information of the Compound
| Compound ID |
CP0550180
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| Compound Name |
(4-methylpiperazin-1-yl)-[4-[4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indol-6-yl]phenyl]methanone
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| Structure |
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| Formula |
C31H28N4O
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| Molecular Weight |
472.592
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4)c3c2c1
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| InChI |
InChI=1S/C31H28N4O/c1-34-17-19-35(20-18-34)31(36)25-11-9-23(10-12-25)26-13-14-28-27(21-26)29-24(15-16-32-30(29)33-28)8-7-22-5-3-2-4-6-22/h2-16,21H,17-20H2,1H3,(H,32,33)/b8-7+
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| InChIKey |
PBELTEOVTJQLIX-BQYQJAHWSA-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