General Information of the Compound
| Compound ID |
CP0860520
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| Compound Name |
2-(3,4-Dimethoxy-phenyl)-2-isopropyl-5-[4-(2-phenoxy-ethylamino)-piperidin-1-yl]-pentanenitrile oxalic acid
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| Structure |
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| Formula |
C31H43N3O7
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| Molecular Weight |
569.699
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| Canonical SMILES |
COc1ccc(C(C#N)(CCCN2CCC(NCCOc3ccccc3)CC2)C(C)C)cc1OC.O=C(O)C(=O)O
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| InChI |
InChI=1S/C29H41N3O3.C2H2O4/c1-23(2)29(22-30,24-11-12-27(33-3)28(21-24)34-4)15-8-17-32-18-13-25(14-19-32)31-16-20-35-26-9-6-5-7-10-26;3-1(4)2(5)6/h5-7,9-12,21,23,25,31H,8,13-20H2,1-4H3;(H,3,4)(H,5,6)
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| InChIKey |
WNPJOJGOJHIEKN-UHFFFAOYSA-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