General Information of the Compound
| Compound ID |
CP0437814
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| Compound Name |
4-benzyl-1-[(1S,2S)-1-(5-chloro-6-methoxynaphthalen-2-yl)-1-hydroxypropan-2-yl]piperidin-4-ol
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| Structure |
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| Formula |
C26H30ClNO3
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| Molecular Weight |
439.983
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| Canonical SMILES |
COc1ccc2cc(ccc2c1Cl)[C@H](O)[C@H](C)N1CCC(O)(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C26H30ClNO3/c1-18(28-14-12-26(30,13-15-28)17-19-6-4-3-5-7-19)25(29)21-8-10-22-20(16-21)9-11-23(31-2)24(22)27/h3-11,16,18,25,29-30H,12-15,17H2,1-2H3/t18-,25+/m0/s1
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| InChIKey |
BONBIWJAPUUALK-AVRWGWEMSA-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