General Information of the Compound
| Compound ID |
CP0378394
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| Compound Name |
MLS001199233
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| Structure |
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| Formula |
C23H31N3O2S
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| Molecular Weight |
413.587
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| Canonical SMILES |
CCCCN(CC)CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O
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| InChI |
InChI=1S/C23H31N3O2S/c1-4-7-14-25(5-2)15-10-13-24-22(27)20-16-18-21(29-20)17-11-8-9-12-19(17)26(6-3)23(18)28/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3,(H,24,27)
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| InChIKey |
ZDJMLRLONVLBBO-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