General Information of the Compound
| Compound ID |
CP0850169
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| Compound Name |
N-adamantan-1-ylmethyl-2-(3-{(R)-2-[(R)-2-hydroxy-2-(4-hydroxy-3-hydroxymethyl-phenyl)-ethylamino]-propyl}-phenyl)-acetamide
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| Structure |
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| Formula |
C31H42N2O4
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| Molecular Weight |
506.687
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| Canonical SMILES |
C[C@H](Cc1cccc(CC(=O)NCC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C31H42N2O4/c1-20(32-17-29(36)26-5-6-28(35)27(13-26)18-34)7-21-3-2-4-22(8-21)12-30(37)33-19-31-14-23-9-24(15-31)11-25(10-23)16-31/h2-6,8,13,20,23-25,29,32,34-36H,7,9-12,14-19H2,1H3,(H,33,37)/t20-,23?,24?,25?,29+,31?/m1/s1
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| InChIKey |
PNZQBIROPDWCJZ-GRBSEGRKSA-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