General Information of the Compound
| Compound ID |
CP0424286
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| Compound Name |
N-[13-(5-chloro-2-methoxyanilino)-3,12-dithia-5,14-diazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6),4,13-tetraen-4-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C21H21ClN4O2S2
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| Molecular Weight |
461.012
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| Canonical SMILES |
COc1ccc(Cl)cc1Nc1nc-2c(CCCCc3nc(NC(=O)C4CC4)sc-23)s1
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| InChI |
InChI=1S/C21H21ClN4O2S2/c1-28-15-9-8-12(22)10-14(15)24-20-25-17-16(29-20)5-3-2-4-13-18(17)30-21(23-13)26-19(27)11-6-7-11/h8-11H,2-7H2,1H3,(H,24,25)(H,23,26,27)
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| InChIKey |
PEJCJUPVORZKOG-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