General Information of the Compound
| Compound ID |
CP0425375
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-[2-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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| Structure |
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| Formula |
C28H36FN7O
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| Molecular Weight |
505.642
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| Canonical SMILES |
Cn1nnnc1-c1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
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| InChI |
InChI=1S/C28H36FN7O/c1-35-27(32-33-34-35)24-9-3-5-11-26(24)31-28(37)30-25-10-4-2-8-22(25)19-36-16-6-7-21(18-36)17-20-12-14-23(29)15-13-20/h3,5,9,11-15,21-22,25H,2,4,6-8,10,16-19H2,1H3,(H2,30,31,37)/t21-,22-,25+/m0/s1
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| InChIKey |
UNTXMOHFIXMRMR-WRALFONMSA-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