General Information of the Compound
| Compound ID |
CP0963856
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| Compound Name |
(E)-tert-butyl(4-(3-(3-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl)acrylamido)phenyl)carbamate
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| Structure |
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| Formula |
C22H22ClN5O3
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| Molecular Weight |
439.903
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1ccc(NC(=O)/C=C/n2cnc(-c3cccc(Cl)c3)n2)cc1
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| InChI |
InChI=1S/C22H22ClN5O3/c1-22(2,3)31-21(30)26-18-9-7-17(8-10-18)25-19(29)11-12-28-14-24-20(27-28)15-5-4-6-16(23)13-15/h4-14H,1-3H3,(H,25,29)(H,26,30)/b12-11+
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| InChIKey |
UTSKESAKVLVKNU-VAWYXSNFSA-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