General Information of the Compound
| Compound ID |
CP0531952
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| Compound Name |
CHEMBL16917
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| Formula |
C26H33N3O3
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| Molecular Weight |
435.568
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| Canonical SMILES |
COc1ccccc1C(=O)NC[C@@]1(CC[C@@H](CC1)NC(=O)N(C)CC=C)c1ccccc1
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| InChI |
InChI=1S/C26H33N3O3/c1-4-18-29(2)25(31)28-21-14-16-26(17-15-21,20-10-6-5-7-11-20)19-27-24(30)22-12-8-9-13-23(22)32-3/h4-13,21H,1,14-19H2,2-3H3,(H,27,30)(H,28,31)/t21-,26-
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| InChIKey |
XEEISPIUANSYFO-WVPZODRTSA-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