General Information of the Compound
| Compound ID |
CP0577296
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| Compound Name |
N-[(3-fluoro-4-methoxyphenyl)methyl]-11,13-dimethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
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| Structure |
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| Formula |
C20H18FN3OS
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| Molecular Weight |
367.449
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| Canonical SMILES |
COc1ccc(CNc2nccc3c2sc2nc(C)cc(C)c32)cc1F
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| InChI |
InChI=1S/C20H18FN3OS/c1-11-8-12(2)24-20-17(11)14-6-7-22-19(18(14)26-20)23-10-13-4-5-16(25-3)15(21)9-13/h4-9H,10H2,1-3H3,(H,22,23)
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| InChIKey |
DYHOZSVGHROGEX-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