General Information of the Compound
| Compound ID |
CP0506843
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| Compound Name |
US9206198, 83
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| Structure |
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| Formula |
C25H30N2O7
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| Molecular Weight |
470.522
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| Canonical SMILES |
COC1CN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CCC11CCN(C2=C(C)C(=O)OC2)C1=O
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| InChI |
InChI=1S/C25H30N2O7/c1-14-16(4-5-17-18(14)12-33-23(17)30)20(28)10-26-8-6-25(21(11-26)32-3)7-9-27(24(25)31)19-13-34-22(29)15(19)2/h4-5,20-21,28H,6-13H2,1-3H3/t20-,21?,25?/m0/s1
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| InChIKey |
IQCTYRMWFVTNIH-LQAIBEDLSA-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