General Information of the Compound
| Compound ID |
CP0502805
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| Compound Name |
7-Chloro-9-(4-methyl-[1,4]diazepan-1-yl)-4-thia-10a-aza-benzo[f]azulene
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| Structure |
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| Formula |
C18H20ClN3S
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| Molecular Weight |
345.899
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| Canonical SMILES |
CN1CCCN(CC1)C1=Cn2cccc2Sc2ccc(Cl)cc12
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| InChI |
InChI=1S/C18H20ClN3S/c1-20-7-3-9-21(11-10-20)16-13-22-8-2-4-18(22)23-17-6-5-14(19)12-15(16)17/h2,4-6,8,12-13H,3,7,9-11H2,1H3
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| InChIKey |
FALNVJOEUBWZEU-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