General Information of the Compound
| Compound ID |
CP0506971
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| Compound Name |
US8933079, 1.5
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| Structure |
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| Formula |
C27H31N3O3
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| Molecular Weight |
445.563
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| Canonical SMILES |
CN1CCN(Cc2ccc(C(=O)Cn3ccc(OCc4ccccc4)cc3=O)c(C)c2)CC1
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| InChI |
InChI=1S/C27H31N3O3/c1-21-16-23(18-29-14-12-28(2)13-15-29)8-9-25(21)26(31)19-30-11-10-24(17-27(30)32)33-20-22-6-4-3-5-7-22/h3-11,16-17H,12-15,18-20H2,1-2H3
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| InChIKey |
PFFCRFYDRWNABT-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