General Information of the Compound
| Compound ID |
CP0510381
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| Compound Name |
1-Methyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene
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| Structure |
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| Formula |
C18H21N3S
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| Molecular Weight |
311.454
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| Canonical SMILES |
CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12
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| InChI |
InChI=1S/C18H21N3S/c1-14-7-8-18-21(14)13-16(20-11-9-19(2)10-12-20)15-5-3-4-6-17(15)22-18/h3-8,13H,9-12H2,1-2H3
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| InChIKey |
RLPMXJWKLTTXDD-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