General Information of the Compound
| Compound ID |
CP0507024
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| Compound Name |
9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene-1,10-dicarbaldehyde
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| Structure |
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| Formula |
C19H19N3O2S
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| Molecular Weight |
353.447
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| Canonical SMILES |
CN1CCN(CC1)C1=C(C=O)n2c(Sc3ccccc13)ccc2C=O
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| InChI |
InChI=1S/C19H19N3O2S/c1-20-8-10-21(11-9-20)19-15-4-2-3-5-17(15)25-18-7-6-14(12-23)22(18)16(19)13-24/h2-7,12-13H,8-11H2,1H3
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| InChIKey |
AMECFCFFHHGFQV-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