General Information of the Compound
| Compound ID |
CP0558947
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| Compound Name |
5-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1-(2-pyrrolidin-1-ylethyl)-4H-pyrrolo[3,4-b]pyrrol-6-one
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| Structure |
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| Formula |
C27H27F2N5O
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| Molecular Weight |
475.543
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| Canonical SMILES |
Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3ccn(CCN4CCCC4)c3C2=O)c(F)c1
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| InChI |
InChI=1S/C27H27F2N5O/c1-31-16-21-20(5-4-6-25(21)30-31)19-13-23(28)22(24(29)14-19)17-34-15-18-7-10-33(26(18)27(34)35)12-11-32-8-2-3-9-32/h4-7,10,13-14,16H,2-3,8-9,11-12,15,17H2,1H3
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| InChIKey |
LXOXHYGZPKGURZ-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