General Information of the Compound
| Compound ID |
CP0547632
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| Compound Name |
US8933079, 5.9
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| Structure |
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| Formula |
C26H29N3O4
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| Molecular Weight |
447.535
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| Canonical SMILES |
CC1CN(Cc2ccc(C(=O)Cn3ncc(OCc4ccccc4)cc3=O)c(C)c2)CCO1
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| InChI |
InChI=1S/C26H29N3O4/c1-19-12-22(16-28-10-11-32-20(2)15-28)8-9-24(19)25(30)17-29-26(31)13-23(14-27-29)33-18-21-6-4-3-5-7-21/h3-9,12-14,20H,10-11,15-18H2,1-2H3
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| InChIKey |
CMRSLADAODNCKF-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