General Information of the Compound
| Compound ID |
CP0147108
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| Compound Name |
N-(3-bromophenyl)-11,17-dioxa-14-thia-4,6-diazatricyclo[8.7.0.03,8]heptadeca-1(10),2,4,6,8-pentaen-7-amine
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| Structure |
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| Formula |
C18H16BrN3O2S
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| Molecular Weight |
418.316
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cc4OCCSCCOc4cc23)c1
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| InChI |
InChI=1S/C18H16BrN3O2S/c19-12-2-1-3-13(8-12)22-18-14-9-16-17(10-15(14)20-11-21-18)24-5-7-25-6-4-23-16/h1-3,8-11H,4-7H2,(H,20,21,22)
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| InChIKey |
RLLLZDOUARGSHF-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