General Information of the Compound
| Compound ID |
CP0454372
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| Compound Name |
(RS)-4'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)propan-2-ylamino]-2-hydroxypropoxy}ethyl)biphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C32H35NO4
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| Molecular Weight |
497.635
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| Canonical SMILES |
CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccc(cc1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C32H35NO4/c1-22(24-10-12-26(13-11-24)27-14-16-28(17-15-27)31(35)36)37-21-30(34)20-33-32(2,3)19-23-8-9-25-6-4-5-7-29(25)18-23/h4-18,22,30,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,30-/m1/s1
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| InChIKey |
IGDUCGTZOKFSPY-GEFZVGADSA-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