General Information of the Compound
| Compound ID |
CP0424285
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| Compound Name |
N-[13-[5-chloro-2-(dimethylamino)anilino]-3,12-dithia-5,14-diazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6),4,13-tetraen-4-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C23H28ClN5OS2
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| Molecular Weight |
490.098
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| Canonical SMILES |
CN(C)c1ccc(Cl)cc1Nc1nc-2c(CCCCc3nc(NC(=O)C(C)(C)C)sc-23)s1
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| InChI |
InChI=1S/C23H28ClN5OS2/c1-23(2,3)20(30)28-22-25-14-8-6-7-9-17-18(19(14)32-22)27-21(31-17)26-15-12-13(24)10-11-16(15)29(4)5/h10-12H,6-9H2,1-5H3,(H,26,27)(H,25,28,30)
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| InChIKey |
QHLBGPDNSFHPEN-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