General Information of the Compound
| Compound ID |
CP0883369
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| Compound Name |
(S)-N-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C28H31N5O4
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| Molecular Weight |
501.587
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(CO)CC3)no2)cc1C#N
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| InChI |
InChI=1S/C28H31N5O4/c1-17(2)36-25-9-6-19(14-20(25)15-29)27-31-26(32-37-27)23-5-3-4-22-21(23)7-8-24(22)30-28(35)33-12-10-18(16-34)11-13-33/h3-6,9,14,17-18,24,34H,7-8,10-13,16H2,1-2H3,(H,30,35)/t24-/m0/s1
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| InChIKey |
NCNLNRARNCNSPD-DEOSSOPVSA-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