General Information of the Compound
| Compound ID |
CP0561381
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| Compound Name |
cyclopropylmethyl N-[3-[3-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
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| Structure |
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| Formula |
C23H27N3O4S2
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| Molecular Weight |
473.62
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| Canonical SMILES |
CC(C)Cc1cc(c(s1)S(=O)(=O)NC(=O)OCC1CC1)-c1cccc(Cn2ccnc2)c1
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| InChI |
InChI=1S/C23H27N3O4S2/c1-16(2)10-20-12-21(19-5-3-4-18(11-19)13-26-9-8-24-15-26)22(31-20)32(28,29)25-23(27)30-14-17-6-7-17/h3-5,8-9,11-12,15-17H,6-7,10,13-14H2,1-2H3,(H,25,27)
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| InChIKey |
OXNYXRUDWDXWOZ-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