General Information of the Compound
| Compound ID |
CP0100241
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| Compound Name |
2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-benzo[f]azulene
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| Synonyms |
DESMETHYLOLANZAPINE
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| Structure |
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| Formula |
C16H18N4S
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| Molecular Weight |
298.415
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| Canonical SMILES |
Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
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| InChI |
InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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| InChIKey |
FHPIXVHJEIZKJW-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
Clinical Information about the Compound