General Information of the Compound
| Compound ID |
CP0548265
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| Compound Name |
N-[5-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-4-(dimethylamino)benzamide
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| Formula |
C23H25F2N5O
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| Molecular Weight |
425.483
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(Cc1cc(F)cc(F)c1)C2(C)C
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| InChI |
InChI=1S/C23H25F2N5O/c1-23(2)20-19(13-30(23)12-14-9-16(24)11-17(25)10-14)21(28-27-20)26-22(31)15-5-7-18(8-6-15)29(3)4/h5-11H,12-13H2,1-4H3,(H2,26,27,28,31)
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| InChIKey |
CDQHSHMPFBIGGF-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