General Information of the Compound
| Compound ID |
CP0639212
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| Compound Name |
(1R,3S)-3-(3-(2-(2-(methylsulfonyl)phenyl)acetamido)-1H-pyrazol-5-yl)cyclopentyl isopropylcarbamate
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| Structure |
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| Formula |
C21H28N4O5S
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| Molecular Weight |
448.545
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| Canonical SMILES |
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccccc3S(C)(=O)=O)n[nH]2)C1
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| InChI |
InChI=1S/C21H28N4O5S/c1-13(2)22-21(27)30-16-9-8-14(10-16)17-12-19(25-24-17)23-20(26)11-15-6-4-5-7-18(15)31(3,28)29/h4-7,12-14,16H,8-11H2,1-3H3,(H,22,27)(H2,23,24,25,26)/t14-,16+/m0/s1
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| InChIKey |
XLKQEANBUUJYHI-GOEBONIOSA-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