General Information of the Compound
| Compound ID |
CP0543285
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H40F3N5O3
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| Molecular Weight |
575.676
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| Canonical SMILES |
FC(F)(F)Oc1ccccc1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C30H40F3N5O3/c31-30(32,33)41-27-14-5-4-13-24(27)26-20-25(36-38(26)23-11-2-3-12-23)29(40)35-22(15-18-37-16-6-1-7-17-37)19-28(39)34-21-9-8-10-21/h4-5,13-14,20-23H,1-3,6-12,15-19H2,(H,34,39)(H,35,40)/t22-/m0/s1
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| InChIKey |
YEPGAIJIJCMWKW-QFIPXVFZSA-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