General Information of the Compound
| Compound ID |
CP0445996
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| Compound Name |
(2R)-N-(4-chloro-3-pyridin-2-ylphenyl)-2-[(5R,8S)-5-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
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| Structure |
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| Formula |
C29H33ClN4O2
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| Molecular Weight |
505.062
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| Canonical SMILES |
C[C@H]([C@@H]1CC[C@@H](C)c2ccc(CN3CCOCC3)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1
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| InChI |
InChI=1S/C29H33ClN4O2/c1-19-6-9-24(28-23(19)10-7-22(32-28)18-34-13-15-36-16-14-34)20(2)29(35)33-21-8-11-26(30)25(17-21)27-5-3-4-12-31-27/h3-5,7-8,10-12,17,19-20,24H,6,9,13-16,18H2,1-2H3,(H,33,35)/t19-,20-,24+/m1/s1
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| InChIKey |
QIPSSQCEYCIPGI-REHUZNOOSA-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