General Information of the Compound
| Compound ID |
CP0263955
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| Compound Name |
1-(3,5-diacetylphenyl)-3-[(2S)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
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| Structure |
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| Formula |
C27H34FN3O3
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| Molecular Weight |
467.585
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| Canonical SMILES |
C[C@@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O
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| InChI |
InChI=1S/C27H34FN3O3/c1-18(29-27(34)30-26-15-23(19(2)32)14-24(16-26)20(3)33)10-12-31-11-4-5-22(17-31)13-21-6-8-25(28)9-7-21/h6-9,14-16,18,22H,4-5,10-13,17H2,1-3H3,(H2,29,30,34)/t18-,22-/m0/s1
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| InChIKey |
YMMAHNYFXNAREN-AVRDEDQJSA-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