General Information of the Compound
| Compound ID |
CP0258392
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| Compound Name |
N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
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| Structure |
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| Formula |
C33H33FN4O2
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| Molecular Weight |
536.651
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| Canonical SMILES |
CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1
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| InChI |
InChI=1S/C33H33FN4O2/c1-2-36-33(40)31(23-9-4-3-5-10-23)24-16-19-38(20-17-24)30-15-14-26(21-29(30)34)37-32(39)28-13-7-6-12-27(28)25-11-8-18-35-22-25/h3-15,18,21-22,24,31H,2,16-17,19-20H2,1H3,(H,36,40)(H,37,39)
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| InChIKey |
SJWGOVCLZUBJPZ-UHFFFAOYSA-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