General Information of the Compound
| Compound ID |
CP0260740
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| Compound Name |
1-(1-(3-(3-(3-(2-(4-hydroxypiperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)pyrrolidin-2-one
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| Structure |
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| Formula |
C33H47F3N6O4S2
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| Molecular Weight |
712.905
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCCN2CCC(O)CC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C33H47F3N6O4S2/c1-48(45,46)40-19-11-29-27(23-40)32(37-42(29)14-3-12-38-15-7-25(8-16-38)41-13-2-4-31(41)44)24-5-6-28(33(34,35)36)30(22-24)47-21-20-39-17-9-26(43)10-18-39/h5-6,22,25-26,43H,2-4,7-21,23H2,1H3
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| InChIKey |
HGMVDOONBIQFOX-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