General Information of the Compound
| Compound ID |
CP0948377
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| Compound Name |
(2R)-1-[di(propan-2-yl)amino]-3-[2-[(1R)-1-methoxy-3-phenylpropyl]phenoxy]propan-2-ol
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| Structure |
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| Formula |
C25H37NO3
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| Molecular Weight |
399.575
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| Canonical SMILES |
CO[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN(C(C)C)C(C)C
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| InChI |
InChI=1S/C25H37NO3/c1-19(2)26(20(3)4)17-22(27)18-29-25-14-10-9-13-23(25)24(28-5)16-15-21-11-7-6-8-12-21/h6-14,19-20,22,24,27H,15-18H2,1-5H3/t22-,24-/m1/s1
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| InChIKey |
HOHGGHARVXUSHI-ISKFKSNPSA-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