General Information of the Compound
| Compound ID |
CP0747041
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| Compound Name |
SID7972229
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| Formula |
C17H20N4OS
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| Molecular Weight |
328.441
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| Canonical SMILES |
CCCCC/N=C\c1c(C)nn(-c2nc3ccccc3s2)c1O
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| InChI |
InChI=1S/C17H20N4OS/c1-3-4-7-10-18-11-13-12(2)20-21(16(13)22)17-19-14-8-5-6-9-15(14)23-17/h5-6,8-9,11,22H,3-4,7,10H2,1-2H3/b18-11-
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| InChIKey |
URKDTOYPAAPWEP-WQRHYEAKSA-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