General Information of the Compound
| Compound ID |
CP0445916
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| Compound Name |
(1R,3R)-1-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)-9-(piperidin-4-ylmethyl)-2,3-dihydro-1H-carbazol-4-one
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| Structure |
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| Formula |
C29H35ClN4O2
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| Molecular Weight |
507.078
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| Canonical SMILES |
CN1CCN(CC1)[C@@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
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| InChI |
InChI=1S/C29H35ClN4O2/c1-32-14-16-33(17-15-32)25-18-26(36-22-8-6-21(30)7-9-22)28-27(29(25)35)23-4-2-3-5-24(23)34(28)19-20-10-12-31-13-11-20/h2-9,20,25-26,31H,10-19H2,1H3/t25-,26-/m1/s1
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| InChIKey |
JJJYHZWMXCJWRV-CLJLJLNGSA-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