General Information of the Compound
| Compound ID |
CP0522332
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| Compound Name |
(S)-7-Chloro-9-(4-methyl-piperazin-1-yl)-9,10-dihydro-4-thia-10a-aza-benzo[f]azulene
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| Structure |
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| Formula |
C17H20ClN3S
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| Molecular Weight |
333.888
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| Canonical SMILES |
CN1CCN(CC1)[C@@H]1Cn2cccc2Sc2ccc(Cl)cc12
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| InChI |
InChI=1S/C17H20ClN3S/c1-19-7-9-20(10-8-19)15-12-21-6-2-3-17(21)22-16-5-4-13(18)11-14(15)16/h2-6,11,15H,7-10,12H2,1H3/t15-/m1/s1
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| InChIKey |
YQXNPUPTPJOJOV-OAHLLOKOSA-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