General Information of the Compound
| Compound ID |
CP0491442
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| Compound Name |
2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one
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| Structure |
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| Formula |
C24H32N4OS
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| Molecular Weight |
424.614
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| Canonical SMILES |
CN(C)CCCNc1nc2sc3CCCCCc3c2c(=O)n1CCc1ccccc1
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| InChI |
InChI=1S/C24H32N4OS/c1-27(2)16-9-15-25-24-26-22-21(19-12-7-4-8-13-20(19)30-22)23(29)28(24)17-14-18-10-5-3-6-11-18/h3,5-6,10-11H,4,7-9,12-17H2,1-2H3,(H,25,26)
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| InChIKey |
AFKNMFXTZTZWHJ-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