General Information of the Compound
| Compound ID |
CP0412507
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| Compound Name |
US9206198, 76
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| Structure |
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| Formula |
C26H30N2O6
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| Molecular Weight |
466.534
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| Canonical SMILES |
CC1=C(COC1=O)N1CCC2(CCN(CC(O)c3ccc4C(=O)OCc4c3C3CC3)CC2)C1=O
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| InChI |
InChI=1S/C26H30N2O6/c1-15-20(14-34-23(15)30)28-11-8-26(25(28)32)6-9-27(10-7-26)12-21(29)18-5-4-17-19(13-33-24(17)31)22(18)16-2-3-16/h4-5,16,21,29H,2-3,6-14H2,1H3
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| InChIKey |
WEAJLRMVHJWJQC-UHFFFAOYSA-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