General Information of the Compound
| Compound ID |
CP0516017
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| Compound Name |
2-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethyl)pyrrolidin-1-yl)methyl)-6-methoxyphenol
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| Structure |
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| Formula |
C28H36N2O3
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| Molecular Weight |
448.607
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| Canonical SMILES |
COc1cccc(CN2CCC[C@@H]2[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c1O
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| InChI |
InChI=1S/C28H36N2O3/c1-28(2,17-20-13-14-21-8-4-5-9-22(21)16-20)29-18-25(31)24-11-7-15-30(24)19-23-10-6-12-26(33-3)27(23)32/h4-6,8-10,12-14,16,24-25,29,31-32H,7,11,15,17-19H2,1-3H3/t24-,25-/m1/s1
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| InChIKey |
ROZPFCVQFHWPAO-JWQCQUIFSA-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