General Information of the Compound
| Compound ID |
CP0745367
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| Compound Name |
SID17432731
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| Structure |
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| Formula |
C25H27ClN2O2
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| Molecular Weight |
422.956
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| Canonical SMILES |
COc1cccc(CNCCc2c[nH]c3ccccc23)c1OCc1ccccc1.Cl
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| InChI |
InChI=1S/C25H26N2O2.ClH/c1-28-24-13-7-10-21(25(24)29-18-19-8-3-2-4-9-19)16-26-15-14-20-17-27-23-12-6-5-11-22(20)23;/h2-13,17,26-27H,14-16,18H2,1H3;1H
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| InChIKey |
BFGCEGLQHYVGIX-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