General Information of the Compound
| Compound ID |
CP0546506
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2,4,6-trifluorophenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C29H38F3N5O2
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| Molecular Weight |
545.65
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| Canonical SMILES |
Fc1cc(F)c(-c2cc(nn2C2CCCC2)C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)c(F)c1
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| InChI |
InChI=1S/C29H38F3N5O2/c30-19-15-23(31)28(24(32)16-19)26-18-25(35-37(26)22-9-2-3-10-22)29(39)34-21(11-14-36-12-4-1-5-13-36)17-27(38)33-20-7-6-8-20/h15-16,18,20-22H,1-14,17H2,(H,33,38)(H,34,39)/t21-/m0/s1
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| InChIKey |
ZAUDARWRSAMONF-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