General Information of the Compound
| Compound ID |
CP0426673
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| Compound Name |
N-[12-(5-chloro-2-methoxyanilino)-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C20H19ClN4O2S2
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| Molecular Weight |
446.985
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| Canonical SMILES |
COc1ccc(Cl)cc1Nc1nc-2c(CCCc3nc(NC(=O)C4CC4)sc-23)s1
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| InChI |
InChI=1S/C20H19ClN4O2S2/c1-27-14-8-7-11(21)9-13(14)23-19-24-16-15(28-19)4-2-3-12-17(16)29-20(22-12)25-18(26)10-5-6-10/h7-10H,2-6H2,1H3,(H,23,24)(H,22,25,26)
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| InChIKey |
ACTGBWZVVISTIE-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