General Information of the Compound
| Compound ID |
CP0673640
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| Compound Name |
SID24828785
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| Structure |
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| Formula |
C23H27ClN4OS
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| Molecular Weight |
443.016
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| Canonical SMILES |
CN1CCC(N(C)C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)CC1.Cl
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| InChI |
InChI=1S/C23H26N4OS.ClH/c1-25-14-12-19(13-15-25)26(2)22(28)11-10-18-17-27(20-7-4-3-5-8-20)24-23(18)21-9-6-16-29-21;/h3-11,16-17,19H,12-15H2,1-2H3;1H/b11-10+;
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| InChIKey |
LRSJYOZXTJAUAG-ASTDGNLGSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor