General Information of the Compound
| Compound ID |
CP0518648
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| Compound Name |
2-[5-[1-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
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| Structure |
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| Formula |
C31H40F3N7O5S2
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| Molecular Weight |
711.833
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| Canonical SMILES |
Cc1noc(n1)C1CCN(CCCn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(c(SCC(=O)N3CCOCC3)c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C31H40F3N7O5S2/c1-21-35-30(46-37-21)22-6-11-38(12-7-22)9-3-10-41-26-8-13-40(48(2,43)44)19-24(26)29(36-41)23-4-5-25(31(32,33)34)27(18-23)47-20-28(42)39-14-16-45-17-15-39/h4-5,18,22H,3,6-17,19-20H2,1-2H3
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| InChIKey |
HWGUTLJEAZNESW-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