General Information of the Compound
| Compound ID |
CP0890221
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| Compound Name |
SID49642974
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| Structure |
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| Formula |
C18H17ClN2O4S
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| Molecular Weight |
392.864
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| Canonical SMILES |
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCCl)c1ccccc1[S+]2[O-]
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| InChI |
InChI=1S/C18H17ClN2O4S/c1-2-25-18(23)20-12-7-8-16-14(11-12)21(17(22)9-10-19)13-5-3-4-6-15(13)26(16)24/h3-8,11H,2,9-10H2,1H3,(H,20,23)
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| InChIKey |
YYJPTJBVMWSOGE-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: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8