General Information of the Compound
| Compound ID |
CP0460337
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| Compound Name |
(4S,6S)-4-[3-chloro-5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C22H21ClN4OS2
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| Molecular Weight |
457.024
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| Canonical SMILES |
CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C
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| InChI |
InChI=1S/C22H21ClN4OS2/c1-5-6-14-7-15(11-25-10-14)17-8-16(23)20(29-17)22(4)9-18(30-21(24)26-22)19-12(2)27-28-13(19)3/h7-8,10-11,18H,9H2,1-4H3,(H2,24,26)/t18-,22-/m0/s1
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| InChIKey |
JUKQEMGCHDDVPT-AVRDEDQJSA-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