General Information of the Compound
| Compound ID |
CP0032212
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| Compound Name |
CHEMBL4229089
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| Formula |
C25H28N2O5
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| Molecular Weight |
436.508
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| Canonical SMILES |
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc4OCCOc4c3)c2c1
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| InChI |
InChI=1S/C25H28N2O5/c1-28-20-4-5-22-21(13-20)18(8-9-26-22)3-7-25-31-15-19(16-32-25)27-14-17-2-6-23-24(12-17)30-11-10-29-23/h2,4-6,8-9,12-13,19,25,27H,3,7,10-11,14-16H2,1H3/t19-,25-
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| InChIKey |
WMNKVDSSYPIFBR-FEHRVWHQSA-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