General Information of the Compound
| Compound ID |
CP0385840
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| Compound Name |
6-(5-chloropyridin-3-yl)-2,2-dimethylspiro[1,3-dihydronaphthalene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
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| Structure |
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| Formula |
C20H22ClN3S
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| Molecular Weight |
371.937
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| Canonical SMILES |
CC1(C)Cc2ccc(cc2C2(CCSC(N)=N2)C1)-c1cncc(Cl)c1
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| InChI |
InChI=1S/C20H22ClN3S/c1-19(2)9-14-4-3-13(15-7-16(21)11-23-10-15)8-17(14)20(12-19)5-6-25-18(22)24-20/h3-4,7-8,10-11H,5-6,9,12H2,1-2H3,(H2,22,24)
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| InChIKey |
NNOWXMJGJLIDEA-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