General Information of the Compound
| Compound ID |
CP0414373
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-cyclohexyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C33H41FN4O4
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| Molecular Weight |
576.713
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C33H41FN4O4/c1-41-29-12-7-13-30(42-2)32(29)28-21-27(37-38(28)26-18-15-23(34)16-19-26)33(40)36-25(17-14-22-8-4-3-5-9-22)20-31(39)35-24-10-6-11-24/h7,12-13,15-16,18-19,21-22,24-25H,3-6,8-11,14,17,20H2,1-2H3,(H,35,39)(H,36,40)/t25-/m0/s1
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| InChIKey |
QVGYRVJMENXXAI-VWLOTQADSA-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