General Information of the Compound
| Compound ID |
CP0573633
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-5-(oxetane-3-carbonylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C29H36F3N5O4
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| Molecular Weight |
575.632
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCNC(=O)C1COC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C29H36F3N5O4/c30-29(31,32)23-11-4-3-10-22(23)25-15-24(36-37(25)21-8-1-2-9-21)28(40)35-20(14-26(38)34-19-6-5-7-19)12-13-33-27(39)18-16-41-17-18/h3-4,10-11,15,18-21H,1-2,5-9,12-14,16-17H2,(H,33,39)(H,34,38)(H,35,40)/t20-/m0/s1
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| InChIKey |
BOUOJHCTTULLPZ-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