General Information of the Compound
| Compound ID |
CP0939942
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| Compound Name |
1-[2-[(2R)-3-[[(R)-cyclohexyl(phenyl)methyl]amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C31H37NO3
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| Molecular Weight |
471.641
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| Canonical SMILES |
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C31H37NO3/c33-27(22-32-31(25-14-6-2-7-15-25)26-16-8-3-9-17-26)23-35-30-19-11-10-18-28(30)29(34)21-20-24-12-4-1-5-13-24/h1-2,4-7,10-15,18-19,26-27,31-33H,3,8-9,16-17,20-23H2/t27-,31+/m1/s1
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| InChIKey |
ZOYKEAZXWHUXDZ-JOMNFKBKSA-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