General Information of the Compound
| Compound ID |
CP0559544
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| Compound Name |
CHEMBL4535555
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| Formula |
C28H36N2O4
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| Molecular Weight |
464.606
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| Canonical SMILES |
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC2C3CC4C5CC6CC4C2C(C6)C5C3)cc1
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| InChI |
InChI=1S/C28H36N2O4/c31-27(32)15-1-5-18(6-2-15)34-19-7-3-17(4-8-19)29-28(33)30-26-16-12-21-20-9-14-10-23(21)25(26)24(11-14)22(20)13-16/h1-2,5-6,14,16-17,19-26H,3-4,7-13H2,(H,31,32)(H2,29,30,33)/t14?,16?,17-,19-,20?,21?,22?,23?,24?,25?,26?
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| InChIKey |
JTHDOQBQEZCDCT-TZYVQZSTSA-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