General Information of the Compound
| Compound ID |
CP0508223
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| Compound Name |
13-N-(5-chloro-2-methoxyphenyl)-3,12-dithia-5,14-diazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6),4,13-tetraene-4,13-diamine
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| Structure |
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| Formula |
C17H17ClN4OS2
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| Molecular Weight |
392.937
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| Canonical SMILES |
COc1ccc(Cl)cc1Nc1nc-2c(CCCCc3nc(N)sc-23)s1
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| InChI |
InChI=1S/C17H17ClN4OS2/c1-23-12-7-6-9(18)8-11(12)21-17-22-14-13(24-17)5-3-2-4-10-15(14)25-16(19)20-10/h6-8H,2-5H2,1H3,(H2,19,20)(H,21,22)
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| InChIKey |
RCUWGJKHPUZBGU-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