General Information of the Compound
| Compound ID |
CP0451717
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| Compound Name |
(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl) 4-phenylbenzoate
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| Structure |
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| Formula |
C33H31NO3
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| Molecular Weight |
489.615
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| Canonical SMILES |
CC(=O)N1c2ccc(OC(=O)c3ccc(cc3)-c3ccccc3)cc2C(C)(CC1(C)C)c1ccccc1
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| InChI |
InChI=1S/C33H31NO3/c1-23(35)34-30-20-19-28(21-29(30)33(4,22-32(34,2)3)27-13-9-6-10-14-27)37-31(36)26-17-15-25(16-18-26)24-11-7-5-8-12-24/h5-21H,22H2,1-4H3
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| InChIKey |
OVWRFBGLNCIAAX-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