General Information of the Compound
| Compound ID |
CP0521602
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| Compound Name |
CHEMBL4465856
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| Formula |
C23H30N2O4
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| Molecular Weight |
398.503
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| Canonical SMILES |
OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC2CC(C3)C4)cc1
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| InChI |
InChI=1S/C23H30N2O4/c26-21(27)16-1-5-19(6-2-16)29-20-7-3-18(4-8-20)24-22(28)25-23-12-14-9-15(13-23)11-17(23)10-14/h1-2,5-6,14-15,17-18,20H,3-4,7-13H2,(H,26,27)(H2,24,25,28)/t14?,15?,17?,18-,20-,23?
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| InChIKey |
MHIFSEGYKTWRPW-RRFZYFIMSA-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