General Information of the Compound
| Compound ID |
CP0883286
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| Compound Name |
1-[(S)-1-(4-Fluoro-benzyl)-piperidin-3-ylmethyl]-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea
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| Structure |
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| Formula |
C22H26FN7O
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| Molecular Weight |
423.496
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| Canonical SMILES |
Cn1nnnc1-c1cccc(NC(=O)NC[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1
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| InChI |
InChI=1S/C22H26FN7O/c1-29-21(26-27-28-29)18-5-2-6-20(12-18)25-22(31)24-13-17-4-3-11-30(15-17)14-16-7-9-19(23)10-8-16/h2,5-10,12,17H,3-4,11,13-15H2,1H3,(H2,24,25,31)/t17-/m0/s1
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| InChIKey |
PIGMGISORAKQDC-KRWDZBQOSA-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