General Information of the Compound
| Compound ID |
CP0500363
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| Compound Name |
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-(2-methoxyethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
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| Structure |
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| Formula |
C23H21F2N5O2
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| Molecular Weight |
437.45
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| Canonical SMILES |
COCCn1ncc2CN(Cc3c(F)cc(cc3F)-c3cccc4nn(C)cc34)C(=O)c12
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| InChI |
InChI=1S/C23H21F2N5O2/c1-28-12-17-16(4-3-5-21(17)27-28)14-8-19(24)18(20(25)9-14)13-29-11-15-10-26-30(6-7-32-2)22(15)23(29)31/h3-5,8-10,12H,6-7,11,13H2,1-2H3
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| InChIKey |
BZKHLAOFVSPUKH-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