General Information of the Compound
| Compound ID |
CP0561458
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| Compound Name |
US9206198, 15
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| Structure |
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| Formula |
C24H28N2O6
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| Molecular Weight |
440.496
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| Canonical SMILES |
CO[C@@H](CN1CCC2(CN(C(=O)C2)C2=CC(=O)OC2)CC1)c1ccc2C(=O)OCc2c1C
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| InChI |
InChI=1S/C24H28N2O6/c1-15-17(3-4-18-19(15)13-32-23(18)29)20(30-2)11-25-7-5-24(6-8-25)10-21(27)26(14-24)16-9-22(28)31-12-16/h3-4,9,20H,5-8,10-14H2,1-2H3/t20-/m0/s1
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| InChIKey |
RDHQTUXCMWJDAI-FQEVSTJZSA-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