General Information of the Compound
| Compound ID |
CP0186811
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| Compound Name |
(2R,4S)-1-[2-[4-[(4-butyl-1,3-thiazol-2-yl)amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
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| Structure |
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| Formula |
C21H31N3O2S
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| Molecular Weight |
389.565
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| Canonical SMILES |
CCCCc1csc(Nc2ccc(CCN3CC[C@H](O)C[C@@H]3CO)cc2)n1
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| InChI |
InChI=1S/C21H31N3O2S/c1-2-3-4-18-15-27-21(23-18)22-17-7-5-16(6-8-17)9-11-24-12-10-20(26)13-19(24)14-25/h5-8,15,19-20,25-26H,2-4,9-14H2,1H3,(H,22,23)/t19-,20+/m1/s1
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| InChIKey |
LNZAFNKZIXPDLJ-UXHICEINSA-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