General Information of the Compound
| Compound ID |
CP0415169
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| Compound Name |
1-[(2S)-2-hydroxy-3-[4-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenoxy]propyl]piperidin-4-ol
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| Structure |
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| Formula |
C23H33N3O4
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| Molecular Weight |
415.534
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| Canonical SMILES |
COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCCc2cccnc2)c1
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| InChI |
InChI=1S/C23H33N3O4/c1-29-22-4-5-23(30-17-21(28)16-26-11-7-20(27)8-12-26)19(13-22)15-25-10-6-18-3-2-9-24-14-18/h2-5,9,13-14,20-21,25,27-28H,6-8,10-12,15-17H2,1H3/t21-/m0/s1
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| InChIKey |
NBHQNPDLNQQPDZ-NRFANRHFSA-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