General Information of the Compound
| Compound ID |
CP0550765
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| Compound Name |
5-(3'-methyl-5'-oxo-5-piperidin-4-yloxy-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile
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| Formula |
C24H22F3N5O2S
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| Molecular Weight |
501.534
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| Canonical SMILES |
CN1C(=S)N(C(=O)C11Cc2ccc(OC3CCNCC3)cc2C1)c1cnc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H22F3N5O2S/c1-31-22(35)32(16-9-19(24(25,26)27)20(12-28)30-13-16)21(33)23(31)10-14-2-3-18(8-15(14)11-23)34-17-4-6-29-7-5-17/h2-3,8-9,13,17,29H,4-7,10-11H2,1H3
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| InChIKey |
WNSOXYLPJNGFAT-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