General Information of the Compound
| Compound ID |
CP0545608
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| Compound Name |
US9206198, 74
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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 |
CCc1c2COC(=O)c2ccc1C(O)CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2)CC1
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| InChI |
InChI=1S/C25H30N2O6/c1-3-16-17(4-5-18-19(16)13-32-23(18)30)21(28)12-26-9-6-25(7-10-26)8-11-27(24(25)31)20-14-33-22(29)15(20)2/h4-5,21,28H,3,6-14H2,1-2H3
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| InChIKey |
RFPIVEMMAQJRDY-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