General Information of the Compound
| Compound ID |
CP0531326
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| Compound Name |
US9428456, 1.175
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| Structure |
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| Formula |
C29H39N3O4
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| Molecular Weight |
493.648
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| Canonical SMILES |
COc1ccc(OCC(=O)Nc2cccc(c2)C(C)N2CCC(CC2)C(=O)NC2CCCCC2)cc1
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| InChI |
InChI=1S/C29H39N3O4/c1-21(32-17-15-22(16-18-32)29(34)31-24-8-4-3-5-9-24)23-7-6-10-25(19-23)30-28(33)20-36-27-13-11-26(35-2)12-14-27/h6-7,10-14,19,21-22,24H,3-5,8-9,15-18,20H2,1-2H3,(H,30,33)(H,31,34)
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| InChIKey |
JNUNPBXRLXYRGM-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