General Information of the Compound
| Compound ID |
CP0474524
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| Compound Name |
US9139585, 42B
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| Structure |
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| Formula |
C28H32N2O6
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| Molecular Weight |
492.572
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| Canonical SMILES |
C[C@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1C[C@H]2C[C@@H]1CN2C[C@H](O)c1ccc2C(=O)OCc2c1C
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| InChI |
InChI=1S/C28H32N2O6/c1-15-7-18-8-17(3-4-22(18)28(34)36-15)25(31)12-29-10-20-9-19(29)11-30(20)13-26(32)21-5-6-23-24(16(21)2)14-35-27(23)33/h3-6,8,15,19-20,25-26,31-32H,7,9-14H2,1-2H3/t15-,19+,20+,25+,26-/m0/s1
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| InChIKey |
WJAVGKMVVNZROZ-ZJAJDLDBSA-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