General Information of the Compound
| Compound ID |
CP0442598
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| Compound Name |
(1R)-1-(4-chlorophenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-9-(piperidin-4-ylmethyl)-2,3-dihydro-1H-carbazol-4-one
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| Structure |
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| Formula |
C30H37ClN4O3
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| Molecular Weight |
537.104
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| Canonical SMILES |
OCCN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
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| InChI |
InChI=1S/C30H37ClN4O3/c31-22-5-7-23(8-6-22)38-27-19-26(34-15-13-33(14-16-34)17-18-36)30(37)28-24-3-1-2-4-25(24)35(29(27)28)20-21-9-11-32-12-10-21/h1-8,21,26-27,32,36H,9-20H2/t26?,27-/m1/s1
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| InChIKey |
LRPLIEMIFUAEMP-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