General Information of the Compound
| Compound ID |
CP0858252
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| Compound Name |
SID17511746
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| Structure |
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| Formula |
C23H27BrN2O2
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| Molecular Weight |
443.385
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| Canonical SMILES |
CCOc1ccc(-[n+]2c(-c3ccc(OC)cc3)cn3c2CCCCC3)cc1.[Br-]
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| InChI |
InChI=1S/C23H27N2O2.BrH/c1-3-27-21-14-10-19(11-15-21)25-22(18-8-12-20(26-2)13-9-18)17-24-16-6-4-5-7-23(24)25;/h8-15,17H,3-7,16H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
KZGMRJGDUZGHEG-UHFFFAOYSA-M
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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