General Information of the Compound
| Compound ID |
CP0732354
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| Compound Name |
SID49670187
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| Structure |
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| Formula |
C24H29IN2O
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| Molecular Weight |
488.413
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| Canonical SMILES |
CCN(CC)c1ccc(/C=C/c2ccc3ccc(OC)cc3[n+]2CC)cc1.[I-]
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| InChI |
InChI=1S/C24H29N2O.HI/c1-5-25(6-2)21-13-8-19(9-14-21)10-15-22-16-11-20-12-17-23(27-4)18-24(20)26(22)7-3;/h8-18H,5-7H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
FNMPWPPTZLILBH-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: PT06172, Mothers against decapentaplegic homolog 3