General Information of the Compound
| Compound ID |
CP0572907
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C29H35F3N6O2
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| Molecular Weight |
556.633
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| Canonical SMILES |
Cc1cnn(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(n2)C2CCCC2)c1
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| InChI |
InChI=1S/C29H35F3N6O2/c1-19-17-33-37(18-19)14-13-21(15-27(39)34-20-7-6-8-20)35-28(40)25-16-26(38(36-25)22-9-2-3-10-22)23-11-4-5-12-24(23)29(30,31)32/h4-5,11-12,16-18,20-22H,2-3,6-10,13-15H2,1H3,(H,34,39)(H,35,40)/t21-/m0/s1
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| InChIKey |
GKLXHNZFGVXVQK-NRFANRHFSA-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