General Information of the Compound
| Compound ID |
CP0506019
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| Compound Name |
(RS)-2-(1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphthalen-2-yl)propan-2-ylamino]propoxy}ethyl)benzoic acid
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| Structure |
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| Formula |
C26H31NO4
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| Molecular Weight |
421.537
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| Canonical SMILES |
CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C(O)=O
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| InChI |
InChI=1S/C26H31NO4/c1-18(23-10-6-7-11-24(23)25(29)30)31-17-22(28)16-27-26(2,3)15-19-12-13-20-8-4-5-9-21(20)14-19/h4-14,18,22,27-28H,15-17H2,1-3H3,(H,29,30)/t18?,22-/m1/s1
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| InChIKey |
IACLMJZHCWFCBZ-LMNIDFBRSA-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