General Information of the Compound
| Compound ID |
CP0864415
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| Compound Name |
(E)-isopropyl 4-(3-(3-chlorophenyl)-1H-1,2,4-triazol-1-yl)but-2-enoate
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| Structure |
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| Formula |
C15H16ClN3O2
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| Molecular Weight |
305.765
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| Canonical SMILES |
CC(C)OC(=O)/C=C/Cn1cnc(-c2cccc(Cl)c2)n1
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| InChI |
InChI=1S/C15H16ClN3O2/c1-11(2)21-14(20)7-4-8-19-10-17-15(18-19)12-5-3-6-13(16)9-12/h3-7,9-11H,8H2,1-2H3/b7-4+
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| InChIKey |
SSCIPPJBPOZHKP-QPJJXVBHSA-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