General Information of the Compound
| Compound ID |
CP0186240
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| Compound Name |
9-(4-Methyl-piperazin-1-yl)-3,4-dithia-7a-aza-cyclopenta[f]azulene
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| Structure |
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| Formula |
C15H17N3S2
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| Molecular Weight |
303.456
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| Canonical SMILES |
CN1CCN(CC1)C1=Cn2cccc2Sc2sccc12
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| InChI |
InChI=1S/C15H17N3S2/c1-16-6-8-17(9-7-16)13-11-18-5-2-3-14(18)20-15-12(13)4-10-19-15/h2-5,10-11H,6-9H2,1H3
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| InChIKey |
ACRDOIMNOGBPSA-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