General Information of the Compound
| Compound ID |
CP0438244
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| Compound Name |
1-(biphenyl-2-yl)-3-(1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)nonyl)piperidin-4-yl)urea
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| Structure |
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| Formula |
C38H49N5O4
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| Molecular Weight |
639.841
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| Canonical SMILES |
OC(CNCCCCCCCCCN1CCC(CC1)NC(=O)Nc1ccccc1-c1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C38H49N5O4/c44-34-19-17-31(32-18-20-36(46)42-37(32)34)35(45)27-39-23-11-4-2-1-3-5-12-24-43-25-21-29(22-26-43)40-38(47)41-33-16-10-9-15-30(33)28-13-7-6-8-14-28/h6-10,13-20,29,35,39,44-45H,1-5,11-12,21-27H2,(H,42,46)(H2,40,41,47)
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| InChIKey |
UPYWGAGJXOCCLN-UHFFFAOYSA-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