General Information of the Compound
| Compound ID |
CP0947508
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| Compound Name |
1-[2-[(2R)-3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-5-methylphenyl]ethanone
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| Structure |
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| Formula |
C18H29NO3
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| Molecular Weight |
307.434
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| Canonical SMILES |
CC(=O)c1cc(C)ccc1OC[C@H](O)CN(C(C)C)C(C)C
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| InChI |
InChI=1S/C18H29NO3/c1-12(2)19(13(3)4)10-16(21)11-22-18-8-7-14(5)9-17(18)15(6)20/h7-9,12-13,16,21H,10-11H2,1-6H3/t16-/m1/s1
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| InChIKey |
YAIBXAUTVSBBSP-MRXNPFEDSA-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