General Information of the Compound
| Compound ID |
CP0848192
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| Compound Name |
1-[2-[(2R)-3-(3,3-diphenylpropylamino)-2-hydroxypropoxy]phenyl]-3-naphthalen-1-ylpropan-1-one
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| Structure |
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| Formula |
C37H37NO3
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| Molecular Weight |
543.707
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| Canonical SMILES |
O=C(CCc1cccc2ccccc12)c1ccccc1OC[C@H](O)CNCCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C37H37NO3/c39-32(26-38-25-24-34(28-12-3-1-4-13-28)29-14-5-2-6-15-29)27-41-37-21-10-9-20-35(37)36(40)23-22-31-18-11-17-30-16-7-8-19-33(30)31/h1-21,32,34,38-39H,22-27H2/t32-/m1/s1
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| InChIKey |
AWALKBINULQLLD-JGCGQSQUSA-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