General Information of the Compound
| Compound ID |
CP0572054
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| Compound Name |
N-[(1-cyclobutyltriazol-4-yl)methyl]-3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)benzamide
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| Structure |
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| Formula |
C24H23N7O2
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| Molecular Weight |
441.495
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| Canonical SMILES |
C=CC(=O)Nc1cc(cc(c1)-c1n[nH]c2ccccc12)C(=O)NCc1cn(nn1)C1CCC1
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| InChI |
InChI=1S/C24H23N7O2/c1-2-22(32)26-17-11-15(23-20-8-3-4-9-21(20)28-29-23)10-16(12-17)24(33)25-13-18-14-31(30-27-18)19-6-5-7-19/h2-4,8-12,14,19H,1,5-7,13H2,(H,25,33)(H,26,32)(H,28,29)
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| InChIKey |
YYUQXOANBMSQOD-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