General Information of the Compound
| Compound ID |
CP0963517
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| Compound Name |
SID844799
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| Structure |
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| Formula |
C18H16N2O4
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| Molecular Weight |
324.336
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| Canonical SMILES |
COc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC
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| InChI |
InChI=1S/C18H16N2O4/c1-22-14-6-3-10(7-16(14)23-2)17-12-5-4-11(21)8-15(12)24-18(20)13(17)9-19/h3-8,17,21H,20H2,1-2H3
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| InChIKey |
DABHSSCZWAQBMZ-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