General Information of the Compound
| Compound ID |
CP0964204
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| Compound Name |
methyl 5-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylamino)pentanoate
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| Structure |
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| Formula |
C27H30N4O4
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| Molecular Weight |
474.561
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| Canonical SMILES |
COC(=O)CCCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21
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| InChI |
InChI=1S/C27H30N4O4/c1-17(2)34-24-13-10-18(15-19(24)16-28)27-30-26(31-35-27)22-8-6-7-21-20(22)11-12-23(21)29-14-5-4-9-25(32)33-3/h6-8,10,13,15,17,23,29H,4-5,9,11-12,14H2,1-3H3
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| InChIKey |
FMXBPRYLNQJZPV-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