General Information of the Compound
| Compound ID |
CP0678377
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| Compound Name |
SID50106762
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| Structure |
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| Formula |
C23H32ClNO2
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| Molecular Weight |
389.967
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| Canonical SMILES |
CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl
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| InChI |
InChI=1S/C23H31NO2.ClH/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3;/h7-16H,4-6,17-19H2,1-3H3;1H
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| InChIKey |
FHIKZROVIDCMJA-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: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT04880, Nuclear receptor subfamily 1 group I member 2