General Information of the Compound
| Compound ID |
CP0902818
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| Compound Name |
(2S,3R)-((1R,3S)-3-(3-(2-(2-methylthiazol-5-yl)acetamido)-1H-pyrazol-5-yl)cyclopentyl)3-cyano-2-methylazetidine-1-carboxylate
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| Structure |
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| Formula |
C20H24N6O3S
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| Molecular Weight |
428.518
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| Canonical SMILES |
Cc1ncc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4C[C@@H](C#N)[C@@H]4C)C3)[nH]n2)s1
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| InChI |
InChI=1S/C20H24N6O3S/c1-11-14(8-21)10-26(11)20(28)29-15-4-3-13(5-15)17-7-18(25-24-17)23-19(27)6-16-9-22-12(2)30-16/h7,9,11,13-15H,3-6,10H2,1-2H3,(H2,23,24,25,27)/t11-,13-,14+,15+/m0/s1
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| InChIKey |
VNESSNYPFIJTKU-SPWCGHHHSA-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