General Information of the Compound
| Compound ID |
CP0747335
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| Compound Name |
SID4241660
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| Structure |
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| Formula |
C24H23N3O5S
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| Molecular Weight |
465.531
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| Canonical SMILES |
COc1ccc(CCn2c(=S)[nH]c3cc(C(=O)NCc4ccco4)ccc3c2=O)cc1OC
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| InChI |
InChI=1S/C24H23N3O5S/c1-30-20-8-5-15(12-21(20)31-2)9-10-27-23(29)18-7-6-16(13-19(18)26-24(27)33)22(28)25-14-17-4-3-11-32-17/h3-8,11-13H,9-10,14H2,1-2H3,(H,25,28)(H,26,33)
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| InChIKey |
ZFFMKYAYCWUYMT-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor