General Information of the Compound
| Compound ID |
CP0715133
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| Compound Name |
2-((3S,4S)-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-((2-(trifluoromethyl)pyridin-3-yl)thio)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C19H22F3N5O2S
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| Molecular Weight |
441.479
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(c3ncc(Sc4cccnc4C(F)(F)F)c(=O)[nH]3)CC2)[C@@H]1N
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| InChI |
InChI=1S/C19H22F3N5O2S/c1-11-14(23)18(10-29-11)4-7-27(8-5-18)17-25-9-13(16(28)26-17)30-12-3-2-6-24-15(12)19(20,21)22/h2-3,6,9,11,14H,4-5,7-8,10,23H2,1H3,(H,25,26,28)/t11-,14+/m0/s1
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| InChIKey |
CUPNFYMVCDYJQD-SMDDNHRTSA-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