General Information of the Compound
| Compound ID |
CP0539864
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| Compound Name |
US9493474, 4A
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| Structure |
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| Formula |
C28H32N2O6
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| Molecular Weight |
492.572
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC2CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C2C1
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| InChI |
InChI=1S/C28H32N2O6/c1-15-18(3-5-20-22(15)13-35-27(20)33)25(31)11-29-9-17-7-8-30(24(17)10-29)12-26(32)19-4-6-21-23(16(19)2)14-36-28(21)34/h3-6,17,24-26,31-32H,7-14H2,1-2H3/t17?,24?,25-,26-/m0/s1
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| InChIKey |
AYKTVDFUHYNDJO-NAZHUGMMSA-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