General Information of the Compound
| Compound ID |
CP0304656
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| Compound Name |
MLS000558488
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| Structure |
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| Formula |
C23H27N3O5S
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| Molecular Weight |
457.552
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| Canonical SMILES |
Cc1ccccc1CS(=O)(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C23H27N3O5S/c1-16-10-8-9-13-18(16)15-32(28,29)22-26-25-20(30-22)19(14-17-11-6-5-7-12-17)24-21(27)31-23(2,3)4/h5-13,19H,14-15H2,1-4H3,(H,24,27)/t19-/m0/s1
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| InChIKey |
OPZXUEIGPNYNBQ-IBGZPJMESA-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: PT01214, Tyrosine-protein kinase JAK2