General Information of the Compound
| Compound ID |
CP0918883
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| Compound Name |
1-(1,2-Dihydro-pyridin-2-yl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
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| Structure |
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| Formula |
C25H35FN4O
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| Molecular Weight |
426.58
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| Canonical SMILES |
O=C(NC1C=CC=CN1)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
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| InChI |
InChI=1S/C25H35FN4O/c26-22-12-10-19(11-13-22)16-20-6-5-15-30(17-20)18-21-7-1-2-8-23(21)28-25(31)29-24-9-3-4-14-27-24/h3-4,9-14,20-21,23-24,27H,1-2,5-8,15-18H2,(H2,28,29,31)/t20-,21-,23+,24?/m0/s1
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| InChIKey |
JJXWIXOUYRXGJG-NCYQSSKLSA-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