General Information of the Compound
| Compound ID |
CP0552312
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| Compound Name |
(1-(4-chlorophenoxy)-9-(((3R,4S)-1-cyclopropyl-3-fluoropiperidin-4-yl)methyl)-9H-carbazol-3-yl)(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C33H36ClFN4O2
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| Molecular Weight |
575.128
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCN(C[C@@H]3F)C3CC3)c3ccccc3c2c1
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| InChI |
InChI=1S/C33H36ClFN4O2/c1-36-14-16-37(17-15-36)33(40)23-18-28-27-4-2-3-5-30(27)39(20-22-12-13-38(21-29(22)35)25-8-9-25)32(28)31(19-23)41-26-10-6-24(34)7-11-26/h2-7,10-11,18-19,22,25,29H,8-9,12-17,20-21H2,1H3/t22-,29-/m0/s1
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| InChIKey |
KBPLHOJDAIGXOI-ZTOMLWHTSA-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