General Information of the Compound
| Compound ID |
CP0561038
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| Compound Name |
(E)-3-(4-fluorophenyl)-N-[(2R,3R)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C24H18F2N2O3
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| Molecular Weight |
420.415
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| Canonical SMILES |
Oc1ccc(cc1)[C@@H]1[C@@H](NC(=O)\C=C\c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1
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| InChI |
InChI=1S/C24H18F2N2O3/c25-17-6-1-15(2-7-17)3-14-21(30)27-22-23(16-4-12-20(29)13-5-16)28(24(22)31)19-10-8-18(26)9-11-19/h1-14,22-23,29H,(H,27,30)/b14-3+/t22-,23-/m1/s1
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| InChIKey |
KIMMCDBSXWATMB-PZHIKSBQSA-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
Protein ID: PT04639, NPC1-like intracellular cholesterol transporter 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000036 | MDCK-II | Canis lupus familiaris (Dog) | 1 |
| 1 |
LC50 = 63950 nM
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TS
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| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
LC50 = 57470 nM
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LI
LO
TS
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