General Information of the Compound
| Compound ID |
CP0443044
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| Compound Name |
US9206198, 51
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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(CCN(C3=CC(=O)OC3)C2=O)CC1)c1ccc2C(=O)OCc2c1C
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| InChI |
InChI=1S/C24H28N2O6/c1-15-17(3-4-18-19(15)14-32-22(18)28)20(30-2)12-25-8-5-24(6-9-25)7-10-26(23(24)29)16-11-21(27)31-13-16/h3-4,11,20H,5-10,12-14H2,1-2H3/t20-/m0/s1
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| InChIKey |
LLAIPSGODNQHHD-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