General Information of the Compound
| Compound ID |
CP0532709
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| Compound Name |
US8933079, 1.10
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| Structure |
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| Formula |
C27H30N2O4
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| Molecular Weight |
446.547
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| Canonical SMILES |
Cc1cc(CN2CCC(C)(O)C2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C27H30N2O4/c1-20-14-22(16-28-13-11-27(2,32)19-28)8-9-24(20)25(30)17-29-12-10-23(15-26(29)31)33-18-21-6-4-3-5-7-21/h3-10,12,14-15,32H,11,13,16-19H2,1-2H3
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| InChIKey |
ZTNPOVSTOYSTMQ-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