General Information of the Compound
| Compound ID |
CP0494413
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| Compound Name |
3-[(1R)-1-[5-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-3-fluoropyridin-2-yl]ethyl]-1-ethyl-1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]urea
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| Structure |
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| Formula |
C25H28F5N5O3
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| Molecular Weight |
541.521
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| Canonical SMILES |
CCN(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/C25H28F5N5O3/c1-5-34(33-22(36)16-8-18(25(28,29)30)11-19(26)9-16)24(38)32-15(4)21-20(27)10-17(12-31-21)23(37)35-13(2)6-7-14(35)3/h8-15H,5-7H2,1-4H3,(H,32,38)(H,33,36)/t13-,14+,15-/m1/s1
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| InChIKey |
KUCVMYOUSWTLEQ-QLFBSQMISA-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