General Information of the Compound
| Compound ID |
CP0529413
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| Compound Name |
US9493474, 10B
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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 |
Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCC2(CCCN2C[C@@H](O)c2ccc3C(=O)OCc3c2C)C1
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| InChI |
InChI=1S/C29H34N2O6/c1-17-19(4-6-21-23(17)14-36-27(21)34)25(32)12-30-11-9-29(16-30)8-3-10-31(29)13-26(33)20-5-7-22-24(18(20)2)15-37-28(22)35/h4-7,25-26,32-33H,3,8-16H2,1-2H3/t25-,26-,29?/m1/s1
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| InChIKey |
OJXDYMZHJWEDHT-CRMLLVLTSA-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