General Information of the Compound
| Compound ID |
CP0562449
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| Compound Name |
(2R)-N-[4-chloro-3-(3-cyclopropyl-1,2,4-oxadiazol-5-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 |
C25H27ClN4O2
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| Molecular Weight |
450.97
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| Canonical SMILES |
C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc(no1)C1CC1
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| InChI |
InChI=1S/C25H27ClN4O2/c1-13-4-9-19(22-18(13)10-5-14(2)27-22)15(3)24(31)28-17-8-11-21(26)20(12-17)25-29-23(30-32-25)16-6-7-16/h5,8,10-13,15-16,19H,4,6-7,9H2,1-3H3,(H,28,31)/t13-,15-,19+/m1/s1
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| InChIKey |
ZUOAPSOEDVMEJO-MUKKUYKPSA-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