General Information of the Compound
| Compound ID |
CP0508014
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| Compound Name |
(4S,6S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C21H20N4OS2
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| Molecular Weight |
408.552
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| Canonical SMILES |
CC#Cc1cncc(c1)-c1csc(c1)[C@@H]1C[C@H](SC(N)=N1)c1c(C)noc1C
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| InChI |
InChI=1S/C21H20N4OS2/c1-4-5-14-6-15(10-23-9-14)16-7-18(27-11-16)17-8-19(28-21(22)24-17)20-12(2)25-26-13(20)3/h6-7,9-11,17,19H,8H2,1-3H3,(H2,22,24)/t17-,19-/m0/s1
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| InChIKey |
JHXBUZHKTRBUPU-HKUYNNGSSA-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