General Information of the Compound
| Compound ID |
CP0199268
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| Compound Name |
(2R,4S)-1-[2-[4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
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| Structure |
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| Formula |
C27H37N3O2S
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| Molecular Weight |
467.679
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| Canonical SMILES |
OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C23CC4CC(CC(C4)C2)C3)cc1
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| InChI |
InChI=1S/C27H37N3O2S/c31-16-23-12-24(32)6-8-30(23)7-5-18-1-3-22(4-2-18)28-26-29-25(17-33-26)27-13-19-9-20(14-27)11-21(10-19)15-27/h1-4,17,19-21,23-24,31-32H,5-16H2,(H,28,29)/t19?,20?,21?,23-,24+,27?/m1/s1
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| InChIKey |
YFPTVJXNOYMELX-NTAHQPDNSA-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