General Information of the Compound
| Compound ID |
CP0579028
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| Compound Name |
3-(1H-indazol-3-yl)-N-[[1-(2-methylphenyl)triazol-4-yl]methyl]-5-(prop-2-enoylamino)benzamide
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| Structure |
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| Formula |
C27H23N7O2
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| Molecular Weight |
477.528
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| Canonical SMILES |
Cc1ccccc1-n1cc(CNC(=O)c2cc(NC(=O)C=C)cc(c2)-c2n[nH]c3ccccc23)nn1
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| InChI |
InChI=1S/C27H23N7O2/c1-3-25(35)29-20-13-18(26-22-9-5-6-10-23(22)31-32-26)12-19(14-20)27(36)28-15-21-16-34(33-30-21)24-11-7-4-8-17(24)2/h3-14,16H,1,15H2,2H3,(H,28,36)(H,29,35)(H,31,32)
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| InChIKey |
XZIURJVSFLDPSJ-UHFFFAOYSA-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