General Information of the Compound
| Compound ID |
CP0856355
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| Compound Name |
1-[2-[(2R)-3-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C29H35NO3
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| Molecular Weight |
445.603
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| Canonical SMILES |
CC(C)(C)[C@@H](NC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H35NO3/c1-29(2,3)28(23-14-8-5-9-15-23)30-20-24(31)21-33-27-17-11-10-16-25(27)26(32)19-18-22-12-6-4-7-13-22/h4-17,24,28,30-31H,18-21H2,1-3H3/t24-,28+/m1/s1
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| InChIKey |
NXLSPYIPMYWKMG-YWEHKCAJSA-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