General Information of the Compound
| Compound ID |
CP0493065
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| Compound Name |
2-(1-((R)-2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)propoxy)ethyl)benzonitrile
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| Structure |
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| Formula |
C26H30N2O2
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| Molecular Weight |
402.538
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| Canonical SMILES |
CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C#N
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| InChI |
InChI=1S/C26H30N2O2/c1-19(25-11-7-6-10-23(25)16-27)30-18-24(29)17-28-26(2,3)15-20-12-13-21-8-4-5-9-22(21)14-20/h4-14,19,24,28-29H,15,17-18H2,1-3H3/t19?,24-/m1/s1
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| InChIKey |
GHNOKMNORHRHRM-JKSFWZLDSA-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