General Information of the Compound
| Compound ID |
CP0378290
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| Compound Name |
1-(3-cyanophenyl)-3-[(1R,2S)-2-[[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
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| Structure |
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| Formula |
C27H33FN4O
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| Molecular Weight |
448.586
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| Canonical SMILES |
Fc1ccc(C[C@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3cccc(c3)C#N)C2)cc1
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| InChI |
InChI=1S/C27H33FN4O/c28-24-12-10-20(11-13-24)15-22-6-4-14-32(18-22)19-23-7-1-2-9-26(23)31-27(33)30-25-8-3-5-21(16-25)17-29/h3,5,8,10-13,16,22-23,26H,1-2,4,6-7,9,14-15,18-19H2,(H2,30,31,33)/t22-,23+,26-/m1/s1
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| InChIKey |
YYWBSASXGCRFHA-MVERNJQCSA-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