General Information of the Compound
| Compound ID |
CP0676739
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| Compound Name |
SID24812735
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| Structure |
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| Formula |
C25H38BrNO
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| Molecular Weight |
448.489
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| Canonical SMILES |
CCC(C)(C)c1ccc(OCCCC[n+]2ccccc2)c(C(C)(C)CC)c1.[Br-]
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| InChI |
InChI=1S/C25H38NO.BrH/c1-7-24(3,4)21-14-15-23(22(20-21)25(5,6)8-2)27-19-13-12-18-26-16-10-9-11-17-26;/h9-11,14-17,20H,7-8,12-13,18-19H2,1-6H3;1H/q+1;/p-1
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| InChIKey |
WRCCVBUOMPMDJI-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