General Information of the Compound
| Compound ID |
CP0647275
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| Compound Name |
SID24807957
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| Structure |
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| Formula |
C24H28ClN3O2
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| Molecular Weight |
425.96
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| Canonical SMILES |
CC(C)(C)c1ccc(Cn2c(=N)n(CC(O)c3ccco3)c3ccccc32)cc1.Cl
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| InChI |
InChI=1S/C24H27N3O2.ClH/c1-24(2,3)18-12-10-17(11-13-18)15-26-19-7-4-5-8-20(19)27(23(26)25)16-21(28)22-9-6-14-29-22;/h4-14,21,25,28H,15-16H2,1-3H3;1H
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| InChIKey |
ZIZLIIUQSDYLDP-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