General Information of the Compound
| Compound ID |
CP0552311
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| Compound Name |
(1-(4-chlorophenoxy)-9-(((3R,4S)-3-fluoropiperidin-4-yl)methyl)-9H-carbazol-3-yl)(4-(2-hydroxyethyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C31H34ClFN4O3
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| Molecular Weight |
565.089
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| Canonical SMILES |
OCCN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@@H]3F)c3ccccc3c2c1
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| InChI |
InChI=1S/C31H34ClFN4O3/c32-23-5-7-24(8-6-23)40-29-18-22(31(39)36-13-11-35(12-14-36)15-16-38)17-26-25-3-1-2-4-28(25)37(30(26)29)20-21-9-10-34-19-27(21)33/h1-8,17-18,21,27,34,38H,9-16,19-20H2/t21-,27-/m0/s1
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| InChIKey |
YOHSETSRMZWQJH-IDISGSTGSA-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