General Information of the Compound
| Compound ID |
CP0146855
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| Compound Name |
N-[(2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propyl]-3-[2-(dimethylamino)ethoxy]benzamide
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| Structure |
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| Formula |
C45H46N4O5
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| Molecular Weight |
722.886
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| Canonical SMILES |
CN(C)CCOc1cccc(c1)C(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1
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| InChI |
InChI=1S/C45H46N4O5/c1-32-41(48-45(54-32)35-15-8-5-9-16-35)25-27-52-38-23-21-33(22-24-38)29-37(31-46-44(51)36-17-12-18-39(30-36)53-28-26-49(2)3)47-42-20-11-10-19-40(42)43(50)34-13-6-4-7-14-34/h4-24,30,37,47H,25-29,31H2,1-3H3,(H,46,51)/t37-/m0/s1
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| InChIKey |
LFZYTTDKSSWXMR-QNGWXLTQSA-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