General Information of the Compound
| Compound ID |
CP0114197
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| Compound Name |
CHEMBL3298231
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
CCNC(=O)O[C@H]1CC[C@@](CNc2nn(C)c3cccc(OC)c23)(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H32N4O3/c1-4-26-24(30)32-19-13-15-25(16-14-19,18-9-6-5-7-10-18)17-27-23-22-20(29(2)28-23)11-8-12-21(22)31-3/h5-12,19H,4,13-17H2,1-3H3,(H,26,30)(H,27,28)/t19-,25-
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| InChIKey |
AYMVSAPTKYQTRO-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