General Information of the Compound
| Compound ID |
CP0551233
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| Compound Name |
1-(3-bromo-phenylsulfanyl)-7,8-dimethoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cycloheptene
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| Structure |
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| Formula |
C19H16BrN3O3S
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| Molecular Weight |
446.326
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| Canonical SMILES |
COc1cc2CNc3c(Oc2cc1OC)ncnc3Sc1cccc(Br)c1
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| InChI |
InChI=1S/C19H16BrN3O3S/c1-24-15-6-11-9-21-17-18(26-14(11)8-16(15)25-2)22-10-23-19(17)27-13-5-3-4-12(20)7-13/h3-8,10,21H,9H2,1-2H3
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| InChIKey |
HNHXWUPOJFGKIK-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