General Information of the Compound
| Compound ID |
CP0515016
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| Compound Name |
US9108947, 6
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| Structure |
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| Formula |
C28H34N2O6
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| Molecular Weight |
494.588
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCCC1CNC(CO)c1ccc2C(=O)OCc2c1C
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| InChI |
InChI=1S/C28H34N2O6/c1-16-19(6-8-21-23(16)14-35-27(21)33)25(13-31)29-11-18-5-3-4-10-30(18)12-26(32)20-7-9-22-24(17(20)2)15-36-28(22)34/h6-9,18,25-26,29,31-32H,3-5,10-15H2,1-2H3/t18?,25?,26-/m0/s1
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| InChIKey |
FQBLVDVMLDXTEC-JXURVNHXSA-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