General Information of the Compound
| Compound ID |
CP0639519
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| Compound Name |
(1S,3R)-3-(3-(1-methyl-1H-pyrazole-5-carboxamido)-1H-pyrazol-5-yl)cyclopentyl isopropylcarbamate
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| Structure |
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| Formula |
C17H24N6O3
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| Molecular Weight |
360.418
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| Canonical SMILES |
CC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)c3ccnn3C)n[nH]2)C1
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| InChI |
InChI=1S/C17H24N6O3/c1-10(2)19-17(25)26-12-5-4-11(8-12)13-9-15(22-21-13)20-16(24)14-6-7-18-23(14)3/h6-7,9-12H,4-5,8H2,1-3H3,(H,19,25)(H2,20,21,22,24)/t11-,12+/m1/s1
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| InChIKey |
ZVJCKKRUKYOZQC-NEPJUHHUSA-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