General Information of the Compound
| Compound ID |
CP0297790
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| Compound Name |
(S)-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-1-(2-hydroxy-3-(piperidin-1-yl)propyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1H-1,2,4-triazol-3-yl)methanone
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| Structure |
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| Formula |
C31H40F4N8O2S
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| Molecular Weight |
664.774
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| Canonical SMILES |
O[C@@H](CN1CCCCC1)Cn1nc(c2CN(CCc12)C(=O)c1nnc[nH]1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C31H40F4N8O2S/c32-22-6-11-40(12-7-22)14-15-46-27-16-21(4-5-25(27)31(33,34)35)28-24-19-42(30(45)29-36-20-37-38-29)13-8-26(24)43(39-28)18-23(44)17-41-9-2-1-3-10-41/h4-5,16,20,22-23,44H,1-3,6-15,17-19H2,(H,36,37,38)/t23-/m0/s1
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| InChIKey |
GVRLCOHGUAZGEO-QHCPKHFHSA-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