General Information of the Compound
| Compound ID |
CP0913188
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| Compound Name |
SID49642324
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| Structure |
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| Formula |
C17H14N2O3
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| Molecular Weight |
294.31
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| Canonical SMILES |
COc1ccc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc1
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| InChI |
InChI=1S/C17H14N2O3/c1-21-12-5-2-10(3-6-12)16-13-7-4-11(20)8-15(13)22-17(19)14(16)9-18/h2-8,16,20H,19H2,1H3
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| InChIKey |
QYSIPVATUUSMKJ-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