General Information of the Compound
| Compound ID |
CP0328262
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| Compound Name |
US9303015, 20
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| Structure |
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| Formula |
C28H18ClN5O2
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| Molecular Weight |
491.938
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| Canonical SMILES |
Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1
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| InChI |
InChI=1S/C28H18ClN5O2/c1-34-17-32-16-26(34)28(35,18-7-10-20(29)11-8-18)19-9-12-24-22(13-19)23(14-30)27(25(15-31)33-24)36-21-5-3-2-4-6-21/h2-13,16-17,35H,1H3
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| InChIKey |
ZIWGQMCFFKYIPD-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