General Information of the Compound
| Compound ID |
CP0380315
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| Compound Name |
(R)-N-(1-acetyl-2,2,4-trimethyl-4-(4-(prop-2-ynyloxy)phenyl)-1,2,3,4-tetrahydroquinolin-6-yl)biphenyl-4-carboxamide
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| Structure |
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| Formula |
C36H34N2O3
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| Molecular Weight |
542.679
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| Canonical SMILES |
CC(=O)N1c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2[C@](C)(CC1(C)C)c1ccc(OCC#C)cc1
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| InChI |
InChI=1S/C36H34N2O3/c1-6-22-41-31-19-16-29(17-20-31)36(5)24-35(3,4)38(25(2)39)33-21-18-30(23-32(33)36)37-34(40)28-14-12-27(13-15-28)26-10-8-7-9-11-26/h1,7-21,23H,22,24H2,2-5H3,(H,37,40)/t36-/m1/s1
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| InChIKey |
WCDRAYCUFVMVJV-PSXMRANNSA-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