General Information of the Compound
| Compound ID |
CP0555875
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| Compound Name |
[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]azetidin-3-yl] N-(cyclopropylmethyl)carbamate
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| Structure |
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| Formula |
C18H19F3N4O3S
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| Molecular Weight |
428.436
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| Canonical SMILES |
CNC(=O)c1csc2c(cc(nc12)N1CC(C1)OC(=O)NCC1CC1)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3N4O3S/c1-22-16(26)11-8-29-15-12(18(19,20)21)4-13(24-14(11)15)25-6-10(7-25)28-17(27)23-5-9-2-3-9/h4,8-10H,2-3,5-7H2,1H3,(H,22,26)(H,23,27)
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| InChIKey |
MPHDQYYXVCEFMV-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