General Information of the Compound
| Compound ID |
CP0258381
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| Compound Name |
1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
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| Structure |
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| Formula |
C27H36FN3O2
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| Molecular Weight |
453.602
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| Canonical SMILES |
COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1
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| InChI |
InChI=1S/C27H36FN3O2/c1-33-25-9-4-8-24(17-25)29-27(32)30-26-10-3-2-7-22(26)19-31-15-5-6-21(18-31)16-20-11-13-23(28)14-12-20/h4,8-9,11-14,17,21-22,26H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,29,30,32)/t21-,22-,26+/m0/s1
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| InChIKey |
LGJFJZSNTJWEAX-AOJNWGRGSA-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