General Information of the Compound
| Compound ID |
CP0514281
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| Compound Name |
1-[(1R)-1-[5-[(2S,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-fluoropyridin-2-yl]ethyl]-3-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]urea
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| Structure |
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| Formula |
C23H24F5N5O3
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| Molecular Weight |
513.467
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| Canonical SMILES |
C[C@@H](NC(=O)NNC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ncc(cc1F)C(=O)N1[C@@H](C)CC[C@H]1C
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| InChI |
InChI=1S/C23H24F5N5O3/c1-11-4-5-12(2)33(11)21(35)15-8-18(25)19(29-10-15)13(3)30-22(36)32-31-20(34)14-6-16(23(26,27)28)9-17(24)7-14/h6-13H,4-5H2,1-3H3,(H,31,34)(H2,30,32,36)/t11-,12+,13-/m1/s1
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| InChIKey |
ZLBWQHOIIQJJRH-FRRDWIJNSA-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