General Information of the Compound
| Compound ID |
CP0682358
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| Compound Name |
SID17415127
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| Structure |
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| Formula |
C18H19N3O4S
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| Molecular Weight |
373.434
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| Canonical SMILES |
COc1cccc(/C=N/NC(=O)CSCC(=O)Nc2ccccc2)c1O
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| InChI |
InChI=1S/C18H19N3O4S/c1-25-15-9-5-6-13(18(15)24)10-19-21-17(23)12-26-11-16(22)20-14-7-3-2-4-8-14/h2-10,24H,11-12H2,1H3,(H,20,22)(H,21,23)/b19-10+
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| InChIKey |
XXTRUWVFGVLMKN-VXLYETTFSA-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: PT06101, Latent membrane protein 1