General Information of the Compound
| Compound ID |
CP0963908
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| Compound Name |
5-((1R)-1-((3,5-Difluoro-4-(trimethylsilyl)phenyl)carbamoyl)-6-methoxy-3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentanoic Acid
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| Structure |
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| Formula |
C24H29F2N3O5Si
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| Molecular Weight |
505.594
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| Canonical SMILES |
COc1ccc2c(n1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1cc(F)c([Si](C)(C)C)c(F)c1
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| InChI |
InChI=1S/C24H29F2N3O5Si/c1-34-19-9-8-15-18(28-19)10-11-29(20(30)6-5-7-21(31)32)22(15)24(33)27-14-12-16(25)23(17(26)13-14)35(2,3)4/h8-9,12-13,22H,5-7,10-11H2,1-4H3,(H,27,33)(H,31,32)/t22-/m1/s1
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| InChIKey |
CNNCIDTWYVJYHT-JOCHJYFZSA-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