General Information of the Compound
| Compound ID |
CP0548107
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| Compound Name |
5-[8-oxo-5-(6-oxo-1H-pyridin-3-yl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
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| Structure |
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| Formula |
C18H12F3N5O2S
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| Molecular Weight |
419.388
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| Canonical SMILES |
Oc1ccc(cn1)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C18H12F3N5O2S/c19-18(20,21)12-6-11(9-23-13(12)7-22)25-15(28)17(4-1-5-17)26(16(25)29)10-2-3-14(27)24-8-10/h2-3,6,8-9H,1,4-5H2,(H,24,27)
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| InChIKey |
BQVQKLJAAGDPIU-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