General Information of the Compound
| Compound ID |
CP0463602
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| Compound Name |
N-[12-[5-chloro-2-(dimethylamino)anilino]-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C22H26ClN5OS2
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| Molecular Weight |
476.071
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| Canonical SMILES |
CN(C)c1ccc(Cl)cc1Nc1nc-2c(CCCc3nc(NC(=O)C(C)(C)C)sc-23)s1
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| InChI |
InChI=1S/C22H26ClN5OS2/c1-22(2,3)19(29)27-21-24-13-7-6-8-16-17(18(13)31-21)26-20(30-16)25-14-11-12(23)9-10-15(14)28(4)5/h9-11H,6-8H2,1-5H3,(H,25,26)(H,24,27,29)
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| InChIKey |
WHIVHAITCSAWEB-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