General Information of the Compound
| Compound ID |
CP0558600
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| Compound Name |
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-(3-hydroxypropyl)-4H-pyrrolo[3,4-b]pyrrol-6-one
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| Structure |
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| Formula |
C24H22F2N4O2
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| Molecular Weight |
436.462
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| Canonical SMILES |
Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3ccn(CCCO)c3C2=O)c(F)c1
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| InChI |
InChI=1S/C24H22F2N4O2/c1-28-13-18-17(4-2-5-22(18)27-28)16-10-20(25)19(21(26)11-16)14-30-12-15-6-8-29(7-3-9-31)23(15)24(30)32/h2,4-6,8,10-11,13,31H,3,7,9,12,14H2,1H3
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| InChIKey |
SRUXFSOYTYSNAV-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