General Information of the Compound
| Compound ID |
CP0514234
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| Compound Name |
(2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)-3-(3-phenylbutoxy)propan-2-ol
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| Structure |
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| Formula |
C27H35NO2
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| Molecular Weight |
405.582
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| Canonical SMILES |
CC(CCOC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1
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| InChI |
InChI=1S/C27H35NO2/c1-21(23-9-5-4-6-10-23)15-16-30-20-26(29)19-28-27(2,3)18-22-13-14-24-11-7-8-12-25(24)17-22/h4-14,17,21,26,28-29H,15-16,18-20H2,1-3H3/t21?,26-/m1/s1
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| InChIKey |
MNMGHGKHINQBJG-ZTDHTWSHSA-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