General Information of the Compound
| Compound ID |
CP0166007
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| Compound Name |
N-(3-bromophenyl)-2,10-dioxa-6-thia-14,16-diazatricyclo[9.8.0.013,18]nonadeca-1(11),12,14,16,18-pentaen-17-amine
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| Structure |
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| Formula |
C20H20BrN3O2S
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| Molecular Weight |
446.37
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cc4OCCCSCCCOc4cc23)c1
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| InChI |
InChI=1S/C20H20BrN3O2S/c21-14-4-1-5-15(10-14)24-20-16-11-18-19(12-17(16)22-13-23-20)26-7-3-9-27-8-2-6-25-18/h1,4-5,10-13H,2-3,6-9H2,(H,22,23,24)
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| InChIKey |
UAUYDWVTYSZYGT-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