General Information of the Compound
| Compound ID |
CP0469357
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| Compound Name |
(2R,3R)-2-(2,4-difluorophenyl)-3-(2-pyrimidin-5-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;sulfuric acid;hydrate
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| Structure |
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| Formula |
C22H21F2N7OS
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| Molecular Weight |
469.521
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| Canonical SMILES |
C[C@@H](N1CCc2nc(sc2C1)-c1cncnc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
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| InChI |
InChI=1S/C22H21F2N7OS.H2O4S.H2O/c1-14(22(32,10-31-13-27-12-28-31)17-3-2-16(23)6-18(17)24)30-5-4-19-20(9-30)33-21(29-19)15-7-25-11-26-8-15;1-5(2,3)4;/h2-3,6-8,11-14,32H,4-5,9-10H2,1H3;(H2,1,2,3,4);1H2/t14-,22-;;/m1../s1
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| InChIKey |
BHGZHTDLGLFQCK-XWSOCXPYSA-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