General Information of the Compound
| Compound ID |
CP0468812
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| Compound Name |
(3-methyloxetan-3-yl)methyl 2-{4-[(1R)-1-{[3-(4-fluorophenyl)-1-methyl-1H- pyrazol-5-yl]formamido}ethyl]benzenesulfonyl}acetate
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| Structure |
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| Formula |
C26H28FN3O6S
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| Molecular Weight |
529.59
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(nn1C)-c1ccc(F)cc1)c1ccc(cc1)S(=O)(=O)CC(=O)OCC1(C)COC1
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| InChI |
InChI=1S/C26H28FN3O6S/c1-17(28-25(32)23-12-22(29-30(23)3)19-4-8-20(27)9-5-19)18-6-10-21(11-7-18)37(33,34)13-24(31)36-16-26(2)14-35-15-26/h4-12,17H,13-16H2,1-3H3,(H,28,32)/t17-/m1/s1
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| InChIKey |
BKJQQTPZUGLGNI-QGZVFWFLSA-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