General Information of the Compound
| Compound ID |
CP0864436
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| Compound Name |
(S)-2-isopropoxy-5-(3-(1-((4-methyl-1H-imidazol-2-yl)methylamino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C26H26N6O2
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| Molecular Weight |
454.534
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| Canonical SMILES |
Cc1c[nH]c(CN[C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)n1
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| InChI |
InChI=1S/C26H26N6O2/c1-15(2)33-23-10-7-17(11-18(23)12-27)26-31-25(32-34-26)21-6-4-5-20-19(21)8-9-22(20)28-14-24-29-13-16(3)30-24/h4-7,10-11,13,15,22,28H,8-9,14H2,1-3H3,(H,29,30)/t22-/m0/s1
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| InChIKey |
RPIIHYTYUKMYRF-QFIPXVFZSA-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