General Information of the Compound
| Compound ID |
CP0392983
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| Compound Name |
N-{(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-4-(trifluoromethyl)pyridin-2-amine
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| Structure |
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| Formula |
C20H19F4N5O2S
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| Molecular Weight |
469.464
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cc(ccn2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H19F4N5O2S/c1-28-11-19(26-12-28)32(30,31)29-9-16(13-2-4-15(21)5-3-13)17(10-29)27-18-8-14(6-7-25-18)20(22,23)24/h2-8,11-12,16-17H,9-10H2,1H3,(H,25,27)/t16-,17+/m1/s1
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| InChIKey |
XGRLAWUVJPITTM-SJORKVTESA-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