General Information of the Compound
| Compound ID |
CP0543272
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| Compound Name |
N-[(2S)-4-(cyclobutylamino)-1-(3,3-difluoropyrrolidin-1-yl)-4-oxobutan-2-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C28H34F5N5O2
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| Molecular Weight |
567.603
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1cc(nn1C1CCCC1)C(=O)N[C@H](CN1CCC(F)(F)C1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C28H34F5N5O2/c29-27(30)12-13-37(17-27)16-19(14-25(39)34-18-6-5-7-18)35-26(40)23-15-24(38(36-23)20-8-1-2-9-20)21-10-3-4-11-22(21)28(31,32)33/h3-4,10-11,15,18-20H,1-2,5-9,12-14,16-17H2,(H,34,39)(H,35,40)/t19-/m0/s1
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| InChIKey |
AMLGIKAGXDSSRQ-IBGZPJMESA-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