General Information of the Compound
| Compound ID |
CP0558218
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| Compound Name |
4-bromo-N-[5-[(2,3-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
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| Formula |
C21H19BrF2N4O
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| Molecular Weight |
461.31
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| Canonical SMILES |
CC1(C)N(Cc2cccc(F)c2F)Cc2c(NC(=O)c3ccc(Br)cc3)n[nH]c12
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| InChI |
InChI=1S/C21H19BrF2N4O/c1-21(2)18-15(11-28(21)10-13-4-3-5-16(23)17(13)24)19(27-26-18)25-20(29)12-6-8-14(22)9-7-12/h3-9H,10-11H2,1-2H3,(H2,25,26,27,29)
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| InChIKey |
UNNQACPDIYWBDW-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