General Information of the Compound
| Compound ID |
CP0494414
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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-methylurea
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| Structure |
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| Formula |
C24H26F5N5O3
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| Molecular Weight |
527.494
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| Canonical SMILES |
C[C@@H](NC(=O)N(C)NC(=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/C24H26F5N5O3/c1-12-5-6-13(2)34(12)22(36)16-9-19(26)20(30-11-16)14(3)31-23(37)33(4)32-21(35)15-7-17(24(27,28)29)10-18(25)8-15/h7-14H,5-6H2,1-4H3,(H,31,37)(H,32,35)/t12-,13+,14-/m1/s1
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| InChIKey |
LUDXAYDGIBSZDR-HZSPNIEDSA-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