General Information of the Compound
| Compound ID |
CP0810504
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| Compound Name |
SID17416351
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| Structure |
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| Formula |
C20H24Cl3NO2
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| Molecular Weight |
416.776
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| Canonical SMILES |
COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1Cl.Cl
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| InChI |
InChI=1S/C20H23Cl2NO2.ClH/c1-24-19-11-14(12-23-16-7-3-4-8-16)10-18(22)20(19)25-13-15-6-2-5-9-17(15)21;/h2,5-6,9-11,16,23H,3-4,7-8,12-13H2,1H3;1H
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| InChIKey |
YAINLXWGEQQWJH-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: PT06033, Microphthalmia-associated transcription factor