General Information of the Compound
| Compound ID |
CP0545607
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| Compound Name |
US9206198, 17
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| Structure |
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| Formula |
C26H32N2O6
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| Molecular Weight |
468.55
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| Canonical SMILES |
CCC1=C(COC1=O)N1CCC2(CCN(C[C@H](OC)c3ccc4C(=O)OCc4c3C)CC2)C1=O
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| InChI |
InChI=1S/C26H32N2O6/c1-4-17-21(15-34-23(17)29)28-12-9-26(25(28)31)7-10-27(11-8-26)13-22(32-3)18-5-6-19-20(16(18)2)14-33-24(19)30/h5-6,22H,4,7-15H2,1-3H3/t22-/m0/s1
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| InChIKey |
RHGUVVHLJXMTKA-QFIPXVFZSA-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