General Information of the Compound
| Compound ID |
CP0501899
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| Compound Name |
3-[(1R)-1-[5-[(2S,5R)-2,5-dimethylpyrrolidine-1-carbonyl]-3-fluoropyridin-2-yl]ethyl]-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-1-propan-2-ylurea
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| Structure |
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| Formula |
C26H30F5N5O3
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| Molecular Weight |
555.548
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| Canonical SMILES |
CC(C)N(NC(=O)c1cc(F)cc(c1)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)C(=O)N1[C@@H](C)CC[C@H]1C
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| InChI |
InChI=1S/C26H30F5N5O3/c1-13(2)36(34-23(37)17-8-19(26(29,30)31)11-20(27)9-17)25(39)33-16(5)22-21(28)10-18(12-32-22)24(38)35-14(3)6-7-15(35)4/h8-16H,6-7H2,1-5H3,(H,33,39)(H,34,37)/t14-,15+,16-/m1/s1
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| InChIKey |
ZYJSNZWPWHEHFL-OWCLPIDISA-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