General Information of the Compound
| Compound ID |
CP0548258
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| Compound Name |
N-[5-[(3-iodophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
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| Formula |
C21H21IN4O
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| Molecular Weight |
472.33
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| Canonical SMILES |
CC1(C)N(Cc2cccc(I)c2)Cc2c(NC(=O)c3ccccc3)n[nH]c12
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| InChI |
InChI=1S/C21H21IN4O/c1-21(2)18-17(13-26(21)12-14-7-6-10-16(22)11-14)19(25-24-18)23-20(27)15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H2,23,24,25,27)
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| InChIKey |
QRDPIXVRUUTUSL-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