General Information of the Compound
| Compound ID |
CP0509787
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| Compound Name |
ethyl 2-[(3-amino-11-benzyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetate
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| Structure |
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| Formula |
C20H22N4O2S2
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| Molecular Weight |
414.556
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| Canonical SMILES |
CCOC(=O)CSc1nc(N)c2c3CCN(Cc4ccccc4)Cc3sc2n1
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| InChI |
InChI=1S/C20H22N4O2S2/c1-2-26-16(25)12-27-20-22-18(21)17-14-8-9-24(10-13-6-4-3-5-7-13)11-15(14)28-19(17)23-20/h3-7H,2,8-12H2,1H3,(H2,21,22,23)
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| InChIKey |
CHFJNJRUOPSOJW-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