General Information of the Compound
| Compound ID |
CP0464234
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| Compound Name |
(1R)-1-(4-chlorophenoxy)-3-(4-methylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)-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 |
CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CCCN1CCCCC1
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| InChI |
InChI=1S/C31H39ClN4O2/c1-33-18-20-35(21-19-33)27-22-28(38-24-12-10-23(32)11-13-24)30-29(31(27)37)25-8-3-4-9-26(25)36(30)17-7-16-34-14-5-2-6-15-34/h3-4,8-13,27-28H,2,5-7,14-22H2,1H3/t27?,28-/m1/s1
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| InChIKey |
RQXBPIGIJBKCME-PLYLYKGUSA-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