General Information of the Compound
| Compound ID |
CP0065058
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| Compound Name |
8-hydroxy-5-[(1R)-1-hydroxy-2-[9-[4-[[3-[hydroxy(diphenyl)methyl]-1,2,4-triazol-1-yl]methyl]piperidin-1-yl]nonylamino]ethyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C41H52N6O4
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| Molecular Weight |
692.905
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| Canonical SMILES |
O[C@@H](CNCCCCCCCCCN1CCC(Cn2cnc(n2)C(O)(c2ccccc2)c2ccccc2)CC1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C41H52N6O4/c48-36-20-18-34(35-19-21-38(50)44-39(35)36)37(49)28-42-24-12-4-2-1-3-5-13-25-46-26-22-31(23-27-46)29-47-30-43-40(45-47)41(51,32-14-8-6-9-15-32)33-16-10-7-11-17-33/h6-11,14-21,30-31,37,42,48-49,51H,1-5,12-13,22-29H2,(H,44,50)/t37-/m0/s1
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| InChIKey |
OZJWNVOXXCSPRM-QNGWXLTQSA-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