General Information of the Compound
| Compound ID |
CP0083695
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| Compound Name |
5-[1,3]Dithian-2-ylidene-9-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C23H22FNOS2
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| Molecular Weight |
411.567
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(=C4SCCCS4)c3c12
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| InChI |
InChI=1S/C23H22FNOS2/c1-13-12-23(2,3)25-17-7-6-15-16-11-14(24)5-8-18(16)26-21(20(15)19(13)17)22-27-9-4-10-28-22/h5-8,11-12,25H,4,9-10H2,1-3H3
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| InChIKey |
NTCBYBDADUSXSB-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