General Information of the Compound
| Compound ID |
CP0091218
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| Compound Name |
1-[3-bromo-5-(1-methyltetrazol-5-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
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| Structure |
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| Formula |
C25H31BrFN7O
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| Molecular Weight |
544.473
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| Canonical SMILES |
C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(Br)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C25H31BrFN7O/c1-17(9-11-34-10-3-4-19(16-34)12-18-5-7-22(27)8-6-18)28-25(35)29-23-14-20(13-21(26)15-23)24-30-31-32-33(24)2/h5-8,13-15,17,19H,3-4,9-12,16H2,1-2H3,(H2,28,29,35)/t17-,19+/m1/s1
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| InChIKey |
CTZCYZCFMJXNPE-MJGOQNOKSA-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