General Information of the Compound
| Compound ID |
CP0539813
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| Compound Name |
US9206198, 24
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| Structure |
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| Formula |
C24H30N2O5
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| Molecular Weight |
426.513
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCCN(C2)C2=CC(=O)OC2)CC1
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| InChI |
InChI=1S/C24H30N2O5/c1-16-18(3-4-19-20(16)14-31-23(19)29)21(27)12-25-9-6-24(7-10-25)5-2-8-26(15-24)17-11-22(28)30-13-17/h3-4,11,21,27H,2,5-10,12-15H2,1H3/t21-/m0/s1
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| InChIKey |
WMHOEEFNQVFBRW-NRFANRHFSA-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