General Information of the Compound
| Compound ID |
CP0321345
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| Compound Name |
1-[3-bromo-5-(1-methyltetrazol-5-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]urea
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| Structure |
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| Formula |
C25H31BrFN7O2
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| Molecular Weight |
560.472
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| Canonical SMILES |
C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(Br)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C25H31BrFN7O2/c1-16(10-23(35)34-9-3-4-18(15-34)11-17-5-7-21(27)8-6-17)28-25(36)29-22-13-19(12-20(26)14-22)24-30-31-32-33(24)2/h5-8,12-14,16,18,23,35H,3-4,9-11,15H2,1-2H3,(H2,28,29,36)/t16-,18+,23-/m1/s1
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| InChIKey |
YTOIIZAJOYVDMZ-WLENULPWSA-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