General Information of the Compound
| Compound ID |
CP0952978
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| Compound Name |
rac-3-Acrylamido-5-(1H-indazol-3-yl)-N-((1-((trans)-2-methoxycyclohexyl-1H-1,2,3-triazol-4-yl)methyl)benzamide
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| Structure |
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| Formula |
C27H29N7O3
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| Molecular Weight |
499.575
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| Canonical SMILES |
C=CC(=O)Nc1cc(C(=O)NCc2cn([C@@H]3CCCC[C@H]3OC)nn2)cc(-c2n[nH]c3ccccc23)c1
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| InChI |
InChI=1S/C27H29N7O3/c1-3-25(35)29-19-13-17(26-21-8-4-5-9-22(21)31-32-26)12-18(14-19)27(36)28-15-20-16-34(33-30-20)23-10-6-7-11-24(23)37-2/h3-5,8-9,12-14,16,23-24H,1,6-7,10-11,15H2,2H3,(H,28,36)(H,29,35)(H,31,32)/t23-,24-/m1/s1
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| InChIKey |
MFUGWMODLTYDTQ-DNQXCXABSA-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