General Information of the Compound
| Compound ID |
CP0505584
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| Compound Name |
(1-(4-chlorophenoxy)-9-(((3R,4S)-3-fluoropiperidin-4-yl)methyl)-9H-carbazol-3-yl)(5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-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)N1CCn2ccnc2C1
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| InChI |
InChI=1S/C31H29ClFN5O2/c32-22-5-7-23(8-6-22)40-28-16-21(31(39)37-14-13-36-12-11-35-29(36)19-37)15-25-24-3-1-2-4-27(24)38(30(25)28)18-20-9-10-34-17-26(20)33/h1-8,11-12,15-16,20,26,34H,9-10,13-14,17-19H2/t20-,26-/m0/s1
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| InChIKey |
XOKGJXJBSQRSGL-FNZWTVRRSA-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