General Information of the Compound
| Compound ID |
CP0503771
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| Compound Name |
US8637507, C-87
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| Structure |
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| Formula |
C29H31N3O5
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| Molecular Weight |
501.583
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| Canonical SMILES |
CCc1ccccc1NC(=O)N1CCOc2cc(ccc12)-c1ccc(OC2CCC(CC2)C(O)=O)nc1
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| InChI |
InChI=1S/C29H31N3O5/c1-2-19-5-3-4-6-24(19)31-29(35)32-15-16-36-26-17-21(9-13-25(26)32)22-10-14-27(30-18-22)37-23-11-7-20(8-12-23)28(33)34/h3-6,9-10,13-14,17-18,20,23H,2,7-8,11-12,15-16H2,1H3,(H,31,35)(H,33,34)
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| InChIKey |
WQSOOGAOWFMJEQ-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