General Information of the Compound
| Compound ID |
CP0185497
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| Compound Name |
(S)-1-(2-((2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)carbamoyl)-4-(trifluoromethyl)phenyl)-3-isopropylurea
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| Structure |
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| Formula |
C30H41F3N6O4
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| Molecular Weight |
606.69
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| Canonical SMILES |
CC(C)NC(=O)Nc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C30H41F3N6O4/c1-17(2)36-28(43)38-23-11-10-21(30(31,32)33)13-22(23)26(41)35-16-25(40)37-24(27(42)39-29(5,6)7)15-34-14-20-9-8-18(3)12-19(20)4/h8-13,17,24,34H,14-16H2,1-7H3,(H,35,41)(H,37,40)(H,39,42)(H2,36,38,43)/t24-/m0/s1
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| InChIKey |
AWJUKDQERXTXHY-DEOSSOPVSA-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