General Information of the Compound
| Compound ID |
CP0308788
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| Compound Name |
6-fluoro-3-(1-(3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)-N-(2-morpholinoethyl)benzo[b]thiophene-2-carboxamide
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| Structure |
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| Formula |
C37H44F4N6O4S2
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| Molecular Weight |
776.923
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)c1c(sc2cc(F)ccc12)C(=O)NCCN1CCOCC1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C37H44F4N6O4S2/c1-53(49,50)46-17-11-31-30(24-46)34(26-3-5-27(6-4-26)37(39,40)41)43-47(31)14-2-13-44-15-9-25(10-16-44)33-29-8-7-28(38)23-32(29)52-35(33)36(48)42-12-18-45-19-21-51-22-20-45/h3-8,23,25H,2,9-22,24H2,1H3,(H,42,48)
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| InChIKey |
ZKSYZVAXPFGQBT-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