General Information of the Compound
| Compound ID |
CP0509389
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| Compound Name |
1-{2-[4-(7-Chloro-9,10-dihydro-4-thia-10a-aza-benzo[f]azulen-9-yl)-piperazin-1-yl]-ethyl}-imidazolidin-2-one
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| Structure |
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| Formula |
C21H26ClN5OS
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| Molecular Weight |
431.993
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| Canonical SMILES |
Clc1ccc2Sc3cccn3CC(N3CCN(CCN4CCNC4=O)CC3)c2c1
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| InChI |
InChI=1S/C21H26ClN5OS/c22-16-3-4-19-17(14-16)18(15-27-6-1-2-20(27)29-19)25-11-8-24(9-12-25)10-13-26-7-5-23-21(26)28/h1-4,6,14,18H,5,7-13,15H2,(H,23,28)
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| InChIKey |
NPJJUFNUABZHLO-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