General Information of the Compound
| Compound ID |
CP0464232
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| Compound Name |
(1R)-1-(4-chlorophenoxy)-9-[[4-(methylamino)cyclohexyl]methyl]-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-carbazol-4-one
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| Structure |
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| Formula |
C31H39ClN4O2
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| Molecular Weight |
535.132
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| Canonical SMILES |
CNC1CCC(Cn2c3[C@@H](CC(N4CCN(C)CC4)C(=O)c3c3ccccc23)Oc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C31H39ClN4O2/c1-33-23-11-7-21(8-12-23)20-36-26-6-4-3-5-25(26)29-30(36)28(38-24-13-9-22(32)10-14-24)19-27(31(29)37)35-17-15-34(2)16-18-35/h3-6,9-10,13-14,21,23,27-28,33H,7-8,11-12,15-20H2,1-2H3/t21?,23?,27?,28-/m1/s1
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| InChIKey |
PBHGXPVLHMQKRM-CRCNIMHKSA-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