General Information of the Compound
| Compound ID |
CP0108613
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| Compound Name |
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C24H27N5O2
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| Molecular Weight |
417.513
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| Canonical SMILES |
O=C(NC1CCc2ccccc2CC1)N1CCC(CC1)c1nc(no1)-c1ccccn1
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| InChI |
InChI=1S/C24H27N5O2/c30-24(26-20-10-8-17-5-1-2-6-18(17)9-11-20)29-15-12-19(13-16-29)23-27-22(28-31-23)21-7-3-4-14-25-21/h1-7,14,19-20H,8-13,15-16H2,(H,26,30)
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| InChIKey |
HRXSTBZYYQOBSY-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