General Information of the Compound
| Compound ID |
CP0566824
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| Compound Name |
(2R)-N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
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| Structure |
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| Formula |
C27H27ClN4O
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| Molecular Weight |
458.993
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| Canonical SMILES |
C[C@H]([C@@H]1CC[C@@H](C)c2ccc(C)nc12)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C27H27ClN4O/c1-15-8-11-20(25-19(15)12-9-16(2)29-25)17(3)27(33)30-18-10-13-22(28)21(14-18)26-31-23-6-4-5-7-24(23)32-26/h4-7,9-10,12-15,17,20H,8,11H2,1-3H3,(H,30,33)(H,31,32)/t15-,17-,20+/m1/s1
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| InChIKey |
BNLXSWAXHNDUIW-MDYRTPRTSA-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