General Information of the Compound
| Compound ID |
CP0314204
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| Compound Name |
2,3,4,7,8,9,10,11-octahydro-1H-cyclohepta[4,5]thieno[2,3-b]quinolin-12-amine
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| Structure |
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| Formula |
C16H20N2S
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| Molecular Weight |
272.417
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| Canonical SMILES |
Nc1c2CCCCc2nc2sc3CCCCCc3c12
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| InChI |
InChI=1S/C16H20N2S/c17-15-10-6-4-5-8-12(10)18-16-14(15)11-7-2-1-3-9-13(11)19-16/h1-9H2,(H2,17,18)
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| InChIKey |
VCRYPZHLSGMRQY-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3