General Information of the Compound
| Compound ID |
CP0555877
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| Compound Name |
[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] N-(cyclopropylmethyl)carbamate
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| Structure |
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| Formula |
C20H23F3N4O3S
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| Molecular Weight |
456.49
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| Canonical SMILES |
CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCC1CC1)C(F)(F)F
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| InChI |
InChI=1S/C20H23F3N4O3S/c1-24-18(28)13-10-31-17-14(20(21,22)23)8-15(26-16(13)17)27-6-4-12(5-7-27)30-19(29)25-9-11-2-3-11/h8,10-12H,2-7,9H2,1H3,(H,24,28)(H,25,29)
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| InChIKey |
IYIOQOMDPZXYML-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