General Information of the Compound
| Compound ID |
CP0450225
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| Compound Name |
US8933079, 1.3
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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(O)CC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C27H30N2O4/c1-20-15-22(17-28-12-9-23(30)10-13-28)7-8-25(20)26(31)18-29-14-11-24(16-27(29)32)33-19-21-5-3-2-4-6-21/h2-8,11,14-16,23,30H,9-10,12-13,17-19H2,1H3
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| InChIKey |
VDDLTKFNUOFIBM-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