General Information of the Compound
| Compound ID |
CP0481419
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| Compound Name |
12-N-(5-chloro-2-methoxyphenyl)-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-4,12-diamine
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| Structure |
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| Formula |
C16H15ClN4OS2
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| Molecular Weight |
378.91
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| Canonical SMILES |
COc1ccc(Cl)cc1Nc1nc-2c(CCCc3nc(N)sc-23)s1
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| InChI |
InChI=1S/C16H15ClN4OS2/c1-22-11-6-5-8(17)7-10(11)20-16-21-13-12(23-16)4-2-3-9-14(13)24-15(18)19-9/h5-7H,2-4H2,1H3,(H2,18,19)(H,20,21)
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| InChIKey |
DXGPFGKZXAXBEA-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