General Information of the Compound
| Compound ID |
CP0491606
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| Compound Name |
7-(3-bromo-5-methoxyphenyl)-1,3-dimethyl-7,8-dihydropyrazolo[3,4-d][1,3]thiazepin-4-one
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| Structure |
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| Formula |
C15H16BrN3O2S
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| Molecular Weight |
382.283
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| Canonical SMILES |
COc1cc(Br)cc(c1)C1Nc2c(c(C)nn2C)C(=O)CS1
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| InChI |
InChI=1S/C15H16BrN3O2S/c1-8-13-12(20)7-22-15(17-14(13)19(2)18-8)9-4-10(16)6-11(5-9)21-3/h4-6,15,17H,7H2,1-3H3
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| InChIKey |
VJKXDMWRHJRMLE-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