General Information of the Compound
| Compound ID |
CP0852159
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| Compound Name |
SID99356095
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| Structure |
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| Formula |
C23H33N5O3S
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| Molecular Weight |
459.616
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| Canonical SMILES |
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1.CCS(=O)(=O)O
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| InChI |
InChI=1S/C21H27N5.C2H6O3S/c1-21(2)25-19(22)24-20(23)26(21)18-14-12-17(13-15-18)11-7-6-10-16-8-4-3-5-9-16;1-2-6(3,4)5/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)
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| InChIKey |
PYGKECRVWWUQAI-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: PT06101, Latent membrane protein 1