General Information of the Compound
| Compound ID |
CP0462904
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| Compound Name |
US9139585, 21
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| Structure |
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| Formula |
C29H34N2O6
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| Molecular Weight |
506.599
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| Canonical SMILES |
C[C@@H]1Cc2cc(CCN3CC4COCC(C3)N4C[C@H](O)c3ccc4C(=O)OCc4c3C)ccc2C(=O)O1
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| InChI |
InChI=1S/C29H34N2O6/c1-17-9-20-10-19(3-4-24(20)29(34)37-17)7-8-30-11-21-14-35-15-22(12-30)31(21)13-27(32)23-5-6-25-26(18(23)2)16-36-28(25)33/h3-6,10,17,21-22,27,32H,7-9,11-16H2,1-2H3/t17-,21?,22?,27+/m1/s1
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| InChIKey |
WXEKZMPYIPMAEJ-RYDYNDLXSA-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