General Information of the Compound
| Compound ID |
CP0350082
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| Compound Name |
1-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
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| Structure |
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| Formula |
C27H34FN5O2
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| Molecular Weight |
479.6
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| Canonical SMILES |
C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nccn1C
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| InChI |
InChI=1S/C27H34FN5O2/c1-19(30-27(35)31-24-7-3-6-22(17-24)26-29-12-14-32(26)2)15-25(34)33-13-4-5-21(18-33)16-20-8-10-23(28)11-9-20/h3,6-12,14,17,19,21,25,34H,4-5,13,15-16,18H2,1-2H3,(H2,30,31,35)/t19-,21+,25-/m1/s1
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| InChIKey |
FLHWJOBAIDQWDE-FZOAFFARSA-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