General Information of the Compound
| Compound ID |
CP0459751
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| Compound Name |
US10005782, Compound 109
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| Structure |
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| Formula |
C25H27N5O3
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| Molecular Weight |
445.523
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| Canonical SMILES |
CC(C)(NC(=O)C=C)C1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C25H27N5O3/c1-4-20(31)28-25(2,3)19-14-15-27-24-21(23(26)32)22(29-30(19)24)16-10-12-18(13-11-16)33-17-8-6-5-7-9-17/h4-13,19,27H,1,14-15H2,2-3H3,(H2,26,32)(H,28,31)
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| InChIKey |
YZFPHIKBWCHEDW-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