General Information of the Compound
| Compound ID |
CP0535727
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| Compound Name |
1-Isopropoxymethyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene
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| Structure |
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| Formula |
C21H27N3OS
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| Molecular Weight |
369.534
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| Canonical SMILES |
CC(C)OCc1ccc2Sc3ccccc3C(=Cn12)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H27N3OS/c1-16(2)25-15-17-8-9-21-24(17)14-19(23-12-10-22(3)11-13-23)18-6-4-5-7-20(18)26-21/h4-9,14,16H,10-13,15H2,1-3H3
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| InChIKey |
ABCRKPVZDDXKEX-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