General Information of the Compound
| Compound ID |
CP0546511
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)thiophen-3-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C28H38F3N5O2S
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| Molecular Weight |
565.706
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| Canonical SMILES |
FC(F)(F)c1sccc1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C28H38F3N5O2S/c29-28(30,31)26-22(12-16-39-26)24-18-23(34-36(24)21-9-2-3-10-21)27(38)33-20(11-15-35-13-4-1-5-14-35)17-25(37)32-19-7-6-8-19/h12,16,18-21H,1-11,13-15,17H2,(H,32,37)(H,33,38)/t20-/m0/s1
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| InChIKey |
VYIFTPPPAZOYTE-FQEVSTJZSA-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