General Information of the Compound
| Compound ID |
CP0931121
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| Compound Name |
5-((1R)-1-((3,5-Difluoro-4-(1-methoxy-2-methylpropan-2-yl)-phenyl)carbamoyl)-6-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentanoic Acid
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| Structure |
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| Formula |
C27H32F2N2O6
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| Molecular Weight |
518.557
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| Canonical SMILES |
COCC(C)(C)c1c(F)cc(NC(=O)[C@H]2c3ccc(OC)cc3CCN2C(=O)CCCC(=O)O)cc1F
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| InChI |
InChI=1S/C27H32F2N2O6/c1-27(2,15-36-3)24-20(28)13-17(14-21(24)29)30-26(35)25-19-9-8-18(37-4)12-16(19)10-11-31(25)22(32)6-5-7-23(33)34/h8-9,12-14,25H,5-7,10-11,15H2,1-4H3,(H,30,35)(H,33,34)/t25-/m1/s1
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| InChIKey |
SOQDHTQECXXCTC-RUZDIDTESA-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