General Information of the Compound
| Compound ID |
CP0543467
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| Compound Name |
(2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
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| Structure |
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| Formula |
C26H27ClN6O2
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| Molecular Weight |
490.995
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| Canonical SMILES |
C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nnc(o1)-c1ccnn1C
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| InChI |
InChI=1S/C26H27ClN6O2/c1-14-5-8-19(23-18(14)9-6-15(2)29-23)16(3)24(34)30-17-7-10-21(27)20(13-17)25-31-32-26(35-25)22-11-12-28-33(22)4/h6-7,9-14,16,19H,5,8H2,1-4H3,(H,30,34)/t14-,16-,19+/m1/s1
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| InChIKey |
PGAYHJCRHZFARK-OGWOLHLISA-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