General Information of the Compound
| Compound ID |
CP0639485
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| Compound Name |
(1S,3R)-3-(3-(2-phenylacetamido)-1H-pyrazol-5-yl)cyclopentyl(1-methylcyclopropyl)carbamate
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| Structure |
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| Formula |
C21H26N4O3
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| Molecular Weight |
382.464
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| Canonical SMILES |
CC1(NC(=O)O[C@H]2CC[C@@H](c3cc(NC(=O)Cc4ccccc4)n[nH]3)C2)CC1
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| InChI |
InChI=1S/C21H26N4O3/c1-21(9-10-21)23-20(27)28-16-8-7-15(12-16)17-13-18(25-24-17)22-19(26)11-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3,(H,23,27)(H2,22,24,25,26)/t15-,16+/m1/s1
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| InChIKey |
KTODDFPIWZQNDC-CVEARBPZSA-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