General Information of the Compound
| Compound ID |
CP0264919
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| Compound Name |
US10005782, Compound 14
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| Structure |
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| Formula |
C29H27N5O3
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| Molecular Weight |
493.567
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| Canonical SMILES |
CN(C(=O)C=C)c1ccccc1C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C29H27N5O3/c1-3-25(35)33(2)23-12-8-7-11-22(23)24-17-18-31-29-26(28(30)36)27(32-34(24)29)19-13-15-21(16-14-19)37-20-9-5-4-6-10-20/h3-16,24,31H,1,17-18H2,2H3,(H2,30,36)
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| InChIKey |
ZUKLWMMHDKSDMF-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