General Information of the Compound
| Compound ID |
CP0077352
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| Compound Name |
9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene
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| Structure |
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| Formula |
C17H19N3S
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| Molecular Weight |
297.427
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| Canonical SMILES |
CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12
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| InChI |
InChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3
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| InChIKey |
JFLBTRDHDHTNGX-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: PT01366, D(3) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor