General Information of the Compound
| Compound ID |
CP0392043
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| Compound Name |
(1R)-1-(4-chlorophenoxy)-9-[[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]methyl]-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-carbazol-4-one
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| Structure |
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| Formula |
C30H36ClFN4O2
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| Molecular Weight |
539.095
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| Canonical SMILES |
CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C[C@@H]1CCN(C)C[C@@H]1F
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| InChI |
InChI=1S/C30H36ClFN4O2/c1-33-13-15-35(16-14-33)26-17-27(38-22-9-7-21(31)8-10-22)29-28(30(26)37)23-5-3-4-6-25(23)36(29)18-20-11-12-34(2)19-24(20)32/h3-10,20,24,26-27H,11-19H2,1-2H3/t20-,24-,26?,27+/m0/s1
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| InChIKey |
FMWQNIIEHDXZKU-ZRZLEGTGSA-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