General Information of the Compound
| Compound ID |
CP0906144
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| Compound Name |
(R)-methyl 1-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylcarbamoyl)piperidine-4-carboxylate
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| Structure |
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| Formula |
C29H31N5O5
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| Molecular Weight |
529.597
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| Canonical SMILES |
COC(=O)C1CCN(C(=O)N[C@@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1
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| InChI |
InChI=1S/C29H31N5O5/c1-17(2)38-25-10-7-19(15-20(25)16-30)27-32-26(33-39-27)23-6-4-5-22-21(23)8-9-24(22)31-29(36)34-13-11-18(12-14-34)28(35)37-3/h4-7,10,15,17-18,24H,8-9,11-14H2,1-3H3,(H,31,36)/t24-/m1/s1
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| InChIKey |
YVDWWYHFLXIJQL-XMMPIXPASA-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