General Information of the Compound
| Compound ID |
CP0505585
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| Compound Name |
(1-(4-chlorophenoxy)-9-(((3R,4S)-3-fluoropiperidin-4-yl)methyl)-9H-carbazol-3-yl)(6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)methanone
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| Structure |
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| Formula |
C31H29ClFN5O2
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| Molecular Weight |
558.057
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| Canonical SMILES |
F[C@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCc2nc[nH]c2C1
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| InChI |
InChI=1S/C31H29ClFN5O2/c32-21-5-7-22(8-6-21)40-29-14-20(31(39)37-12-10-26-27(17-37)36-18-35-26)13-24-23-3-1-2-4-28(23)38(30(24)29)16-19-9-11-34-15-25(19)33/h1-8,13-14,18-19,25,34H,9-12,15-17H2,(H,35,36)/t19-,25-/m0/s1
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| InChIKey |
SSTGGHOOVOEJRC-DFBJGRDBSA-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