General Information of the Compound
| Compound ID |
CP0348865
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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)benzo[b]thiophene-2-carboxylic acid
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| Structure |
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| Formula |
C31H32F4N4O4S2
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| Molecular Weight |
664.747
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)c1c(sc2cc(F)ccc12)C(O)=O)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H32F4N4O4S2/c1-45(42,43)38-16-11-25-24(18-38)28(20-3-5-21(6-4-20)31(33,34)35)36-39(25)13-2-12-37-14-9-19(10-15-37)27-23-8-7-22(32)17-26(23)44-29(27)30(40)41/h3-8,17,19H,2,9-16,18H2,1H3,(H,40,41)
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| InChIKey |
CFZCFOFWXVKOIN-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