General Information of the Compound
| Compound ID |
CP0456972
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| Compound Name |
(1R)-1-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)-9-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
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| Structure |
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| Formula |
C30H37ClN4O2
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| Molecular Weight |
521.105
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| Canonical SMILES |
CN1CCC(Cn2c3[C@@H](CC(N4CCN(C)CC4)C(=O)c3c3ccccc23)Oc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C30H37ClN4O2/c1-32-13-11-21(12-14-32)20-35-25-6-4-3-5-24(25)28-29(35)27(37-23-9-7-22(31)8-10-23)19-26(30(28)36)34-17-15-33(2)16-18-34/h3-10,21,26-27H,11-20H2,1-2H3/t26?,27-/m1/s1
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| InChIKey |
JQOSMURZPWPUEW-SSYAZFEXSA-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