General Information of the Compound
| Compound ID |
CP0529183
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| Compound Name |
US9206198, 12
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| Structure |
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| Formula |
C25H30N2O6
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| Molecular Weight |
454.523
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| Canonical SMILES |
CO[C@H](CN1CCC2(CCN(C2=O)C2=CC(=O)OC2C)CC1)c1ccc2C(=O)OCc2c1C
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| InChI |
InChI=1S/C25H30N2O6/c1-15-17(4-5-18-19(15)14-32-23(18)29)21(31-3)13-26-9-6-25(7-10-26)8-11-27(24(25)30)20-12-22(28)33-16(20)2/h4-5,12,16,21H,6-11,13-14H2,1-3H3/t16?,21-/m1/s1
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| InChIKey |
PNZDFESIWKDHOG-CAWMZFRYSA-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