General Information of the Compound
| Compound ID |
CP0872933
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| Compound Name |
[2-(6,6-dioxo-10b,10c-dihydro-6H-6lambda6-thia-5a-aza-acephenanthrylen-4-yl)-ethyl]-dimethyl-amine
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| Structure |
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| Formula |
C18H18N2O2S
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| Molecular Weight |
326.421
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| Canonical SMILES |
CN(C)CCc1cn2c3c(cccc13)-c1ccccc1S2(=O)=O
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| InChI |
InChI=1S/C18H18N2O2S/c1-19(2)11-10-13-12-20-18-14(13)7-5-8-16(18)15-6-3-4-9-17(15)23(20,21)22/h3-9,12H,10-11H2,1-2H3
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| InChIKey |
JAKCDHLMZYRIFO-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