General Information of the Compound
| Compound ID |
CP0555876
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| Compound Name |
[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] N-[(2S)-butan-2-yl]carbamate
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| Structure |
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| Formula |
C20H25F3N4O3S
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| Molecular Weight |
458.506
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| Canonical SMILES |
CC[C@H](C)NC(=O)OC1CCN(CC1)c1cc(c2scc(C(=O)NC)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C20H25F3N4O3S/c1-4-11(2)25-19(29)30-12-5-7-27(8-6-12)15-9-14(20(21,22)23)17-16(26-15)13(10-31-17)18(28)24-3/h9-12H,4-8H2,1-3H3,(H,24,28)(H,25,29)/t11-/m0/s1
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| InChIKey |
RAJAEZBFIIRRPY-NSHDSACASA-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