General Information of the Compound
| Compound ID |
CP0497884
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| Compound Name |
(R)-1-(3-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)propyl)piperidin-4-yl biphenyl-2-ylcarbamate
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| Structure |
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| Formula |
C32H36N4O5
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| Molecular Weight |
556.663
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| Canonical SMILES |
O[C@@H](CNCCCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C32H36N4O5/c37-28-13-11-25(26-12-14-30(39)35-31(26)28)29(38)21-33-17-6-18-36-19-15-23(16-20-36)41-32(40)34-27-10-5-4-9-24(27)22-7-2-1-3-8-22/h1-5,7-14,23,29,33,37-38H,6,15-21H2,(H,34,40)(H,35,39)/t29-/m0/s1
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| InChIKey |
SMJZXEGGFGRWAA-LJAQVGFWSA-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