General Information of the Compound
| Compound ID |
CP0636602
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| Compound Name |
SID17386562
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| Structure |
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| Formula |
C24H25N5O6
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| Molecular Weight |
479.493
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| Canonical SMILES |
COc1cccc(/C=N/NC(=O)c2[nH]c(C)c(C(=O)N/N=C/c3cccc(OC)c3O)c2C)c1O
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| InChI |
InChI=1S/C24H25N5O6/c1-13-19(23(32)28-25-11-15-7-5-9-17(34-3)21(15)30)14(2)27-20(13)24(33)29-26-12-16-8-6-10-18(35-4)22(16)31/h5-12,27,30-31H,1-4H3,(H,28,32)(H,29,33)/b25-11+,26-12+
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| InChIKey |
VOEWPZDGLNIHGI-KOZSXFMUSA-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: PT01214, Tyrosine-protein kinase JAK2