General Information of the Compound
| Compound ID |
CP0512831
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| Compound Name |
N-(cyclobutylmethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
O=C(NCC1CCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C22H25N5O2/c28-22(23-14-15-4-3-5-15)27-12-10-17(11-13-27)21-25-20(26-29-21)19-9-8-16-6-1-2-7-18(16)24-19/h1-2,6-9,15,17H,3-5,10-14H2,(H,23,28)
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| InChIKey |
RTJQYFBFBRRTCS-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