General Information of the Compound
| Compound ID |
CP0864736
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| Compound Name |
SID92764237
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| Structure |
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| Formula |
C22H17ClO5
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| Molecular Weight |
396.826
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| Canonical SMILES |
C=C1CC(COc2ccc3c(C)c(Cl)c(=O)oc3c2)(c2ccccc2)OC1=O
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| InChI |
InChI=1S/C22H17ClO5/c1-13-11-22(28-20(13)24,15-6-4-3-5-7-15)12-26-16-8-9-17-14(2)19(23)21(25)27-18(17)10-16/h3-10H,1,11-12H2,2H3
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| InChIKey |
YWRGWWAGFKXEDU-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8