General Information of the Compound
| Compound ID |
CP0189179
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| Compound Name |
6-amino-5-[(3S)-4,4-difluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
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| Structure |
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| Formula |
C21H21F5N4O4
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| Molecular Weight |
488.413
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| Canonical SMILES |
CCNC(=O)c1cnc(N)c(O[C@H]2CN(CC2(F)F)C(=O)Cc2ccc(OC(F)(F)F)cc2)c1
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| InChI |
InChI=1S/C21H21F5N4O4/c1-2-28-19(32)13-8-15(18(27)29-9-13)33-16-10-30(11-20(16,22)23)17(31)7-12-3-5-14(6-4-12)34-21(24,25)26/h3-6,8-9,16H,2,7,10-11H2,1H3,(H2,27,29)(H,28,32)/t16-/m0/s1
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| InChIKey |
HHWLDERRTIKZLN-INIZCTEOSA-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