General Information of the Compound
| Compound ID |
CP0474173
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| Compound Name |
US10005782, Compound 13
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| Structure |
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| Formula |
C26H25N5O2
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| Molecular Weight |
439.519
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| Canonical SMILES |
CNc1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C26H25N5O2/c1-28-21-10-6-5-9-20(21)22-15-16-29-26-23(25(27)32)24(30-31(22)26)17-11-13-19(14-12-17)33-18-7-3-2-4-8-18/h2-14,22,28-29H,15-16H2,1H3,(H2,27,32)
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| InChIKey |
LCPRVNCUEZLCII-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