General Information of the Compound
| Compound ID |
CP0870319
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| Compound Name |
1-[2-[(2R)-3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-5-phenylmethoxyphenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C31H39NO4
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| Molecular Weight |
489.656
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| Canonical SMILES |
CC(C)N(C[C@@H](O)COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1)C(C)C
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| InChI |
InChI=1S/C31H39NO4/c1-23(2)32(24(3)4)20-27(33)22-36-31-18-16-28(35-21-26-13-9-6-10-14-26)19-29(31)30(34)17-15-25-11-7-5-8-12-25/h5-14,16,18-19,23-24,27,33H,15,17,20-22H2,1-4H3/t27-/m1/s1
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| InChIKey |
UTJYXDBWBWOMTF-HHHXNRCGSA-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