General Information of the Compound
| Compound ID |
CP0261820
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| Compound Name |
1-((3S,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-tetrahydro-2H-pyran-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
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| Structure |
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| Formula |
C25H33FN4O3S
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| Molecular Weight |
488.629
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| Canonical SMILES |
CC(=O)c1sc(NC(=O)N[C@@H]2CCOC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C
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| InChI |
InChI=1S/C25H33FN4O3S/c1-16-23(17(2)31)34-25(27-16)29-24(32)28-22-9-11-33-15-20(22)14-30-10-3-4-19(13-30)12-18-5-7-21(26)8-6-18/h5-8,19-20,22H,3-4,9-15H2,1-2H3,(H2,27,28,29,32)/t19-,20+,22+/m0/s1
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| InChIKey |
COHCCHMMIZLJTB-TUNNFDKTSA-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