General Information of the Compound
| Compound ID |
CP0639170
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| Compound Name |
(1R,3S)-3-(3-(2-(2-methoxypyridin-4-yl)acetamido)-1H-pyrazol-5-yl)cyclopentyl isopropylcarbamate
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| Structure |
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| Formula |
C20H27N5O4
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| Molecular Weight |
401.467
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| Canonical SMILES |
COc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)ccn1
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| InChI |
InChI=1S/C20H27N5O4/c1-12(2)22-20(27)29-15-5-4-14(10-15)16-11-17(25-24-16)23-18(26)8-13-6-7-21-19(9-13)28-3/h6-7,9,11-12,14-15H,4-5,8,10H2,1-3H3,(H,22,27)(H2,23,24,25,26)/t14-,15+/m0/s1
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| InChIKey |
JFXBJZCDBBMRSA-LSDHHAIUSA-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