General Information of the Compound
| Compound ID |
CP0491354
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| Compound Name |
US8927539, 9
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| Structure |
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| Formula |
C29H34N2O4
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| Molecular Weight |
474.601
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| Canonical SMILES |
Cn1ccc(cc1=O)-c1ccc(cc1)C(C)(C)N1CCC(CC(C)(C)O)(OC1=O)c1ccccc1
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| InChI |
InChI=1S/C29H34N2O4/c1-27(2,34)20-29(24-9-7-6-8-10-24)16-18-31(26(33)35-29)28(3,4)23-13-11-21(12-14-23)22-15-17-30(5)25(32)19-22/h6-15,17,19,34H,16,18,20H2,1-5H3
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| InChIKey |
YRTTYWNJWAGBKQ-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