General Information of the Compound
| Compound ID |
CP0531438
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| Compound Name |
US9108947, 2
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| Structure |
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| Formula |
C30H36N2O6
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| Molecular Weight |
520.626
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CNC1(CCC1)C1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)C1
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| InChI |
InChI=1S/C30H36N2O6/c1-17-20(4-6-22-24(17)15-37-28(22)35)26(33)12-31-30(9-3-10-30)19-8-11-32(13-19)14-27(34)21-5-7-23-25(18(21)2)16-38-29(23)36/h4-7,19,26-27,31,33-34H,3,8-16H2,1-2H3/t19?,26-,27-/m0/s1
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| InChIKey |
MTJHXZSAFKGIMW-OGLOGDKOSA-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