General Information of the Compound
| Compound ID |
CP0546509
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-ethyl-4-fluorophenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H44FN5O2
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| Molecular Weight |
537.724
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| Canonical SMILES |
CCc1cc(F)ccc1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C31H44FN5O2/c1-2-22-19-23(32)13-14-27(22)29-21-28(35-37(29)26-11-4-5-12-26)31(39)34-25(15-18-36-16-6-3-7-17-36)20-30(38)33-24-9-8-10-24/h13-14,19,21,24-26H,2-12,15-18,20H2,1H3,(H,33,38)(H,34,39)/t25-/m0/s1
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| InChIKey |
MRNKIVPOLKWQTQ-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