General Information of the Compound
| Compound ID |
CP0429874
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| Compound Name |
N-[(1-morpholin-4-ylcyclopentyl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C26H33N7O3
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| Molecular Weight |
491.596
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| Canonical SMILES |
O=C(NCC1(CCCC1)N1CCOCC1)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C26H33N7O3/c34-24(27-19-26(9-3-4-10-26)33-15-17-35-18-16-33)31-11-13-32(14-12-31)25-29-23(30-36-25)22-8-7-20-5-1-2-6-21(20)28-22/h1-2,5-8H,3-4,9-19H2,(H,27,34)
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| InChIKey |
UPYKFMILEFMWCI-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