General Information of the Compound
| Compound ID |
CP0861104
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| Compound Name |
(R)-methyl 2-(1-(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylcarbamoyl)piperidin-4-yl)acetate
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| Structure |
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| Formula |
C30H33N5O5
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| Molecular Weight |
543.624
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| Canonical SMILES |
COC(=O)CC1CCN(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/C30H33N5O5/c1-18(2)39-26-10-7-20(16-21(26)17-31)29-33-28(34-40-29)24-6-4-5-23-22(24)8-9-25(23)32-30(37)35-13-11-19(12-14-35)15-27(36)38-3/h4-7,10,16,18-19,25H,8-9,11-15H2,1-3H3,(H,32,37)/t25-/m1/s1
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| InChIKey |
LJSQHQJIHMZGIL-RUZDIDTESA-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