General Information of the Compound
| Compound ID |
CP0566813
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| Compound Name |
(2S)-3-phenyl-N-[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-2-(1,3-thiazol-5-ylmethylamino)propanamide
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| Structure |
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| Formula |
C23H21F3N6OS
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| Molecular Weight |
486.523
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| Canonical SMILES |
FC(F)(F)Cn1nc(cc1NC(=O)[C@H](Cc1ccccc1)NCc1cncs1)-c1ccncc1
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| InChI |
InChI=1S/C23H21F3N6OS/c24-23(25,26)14-32-21(11-19(31-32)17-6-8-27-9-7-17)30-22(33)20(10-16-4-2-1-3-5-16)29-13-18-12-28-15-34-18/h1-9,11-12,15,20,29H,10,13-14H2,(H,30,33)/t20-/m0/s1
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| InChIKey |
GVFUZJXZIYAQAP-FQEVSTJZSA-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