General Information of the Compound
| Compound ID |
CP0225106
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| Compound Name |
(2R,4S)-2-(hydroxymethyl)-1-[2-[4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]piperidin-4-ol
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| Structure |
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| Formula |
C24H29N3O3S
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| Molecular Weight |
439.581
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| Canonical SMILES |
COc1cccc(c1)-c1csc(Nc2ccc(CCN3CC[C@H](O)C[C@@H]3CO)cc2)n1
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| InChI |
InChI=1S/C24H29N3O3S/c1-30-22-4-2-3-18(13-22)23-16-31-24(26-23)25-19-7-5-17(6-8-19)9-11-27-12-10-21(29)14-20(27)15-28/h2-8,13,16,20-21,28-29H,9-12,14-15H2,1H3,(H,25,26)/t20-,21+/m1/s1
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| InChIKey |
OAMJOAOECFYPCZ-RTWAWAEBSA-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