General Information of the Compound
| Compound ID |
CP0543468
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| Compound Name |
(2R)-N-[4-chloro-3-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-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 |
C31H37ClN4O2
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| Molecular Weight |
533.116
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| Canonical SMILES |
C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccc(cn1)N1C[C@H](C)O[C@H](C)C1
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| InChI |
InChI=1S/C31H37ClN4O2/c1-18-6-10-26(30-25(18)11-7-19(2)34-30)22(5)31(37)35-23-8-12-28(32)27(14-23)29-13-9-24(15-33-29)36-16-20(3)38-21(4)17-36/h7-9,11-15,18,20-22,26H,6,10,16-17H2,1-5H3,(H,35,37)/t18-,20-,21+,22-,26+/m1/s1
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| InChIKey |
VHNMJYCHZDSMID-ZQATVHPOSA-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