General Information of the Compound
| Compound ID |
CP0463604
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| Compound Name |
2,2-dimethyl-N-[12-[(3-methylpyridin-2-yl)amino]-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]propanamide
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| Structure |
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| Formula |
C20H23N5OS2
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| Molecular Weight |
413.572
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| Canonical SMILES |
Cc1cccnc1Nc1nc-2c(CCCc3nc(NC(=O)C(C)(C)C)sc-23)s1
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| InChI |
InChI=1S/C20H23N5OS2/c1-11-7-6-10-21-16(11)24-19-23-14-13(27-19)9-5-8-12-15(14)28-18(22-12)25-17(26)20(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,21,23,24)(H,22,25,26)
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| InChIKey |
JKDXSQANVOUFAS-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