General Information of the Compound
| Compound ID |
CP0890588
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| Compound Name |
SID49726715
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| Structure |
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| Formula |
C19H19N3O3
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| Molecular Weight |
337.379
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| Canonical SMILES |
COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)c1
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| InChI |
InChI=1S/C19H19N3O3/c1-25-17-5-2-4-14(12-17)13-20-21-19(24)15-7-9-16(10-8-15)22-11-3-6-18(22)23/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,21,24)/b20-13+
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| InChIKey |
CDRMNEWZJATSPM-DEDYPNTBSA-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: PT06124, Paired box protein Pax-8