General Information of the Compound
| Compound ID |
CP0494511
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| Compound Name |
N-[[1-(cyclohexylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C29H38N6O2
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| Molecular Weight |
502.663
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| Canonical SMILES |
O=C(NCC1(CCCC1)NC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C29H38N6O2/c36-28(30-20-29(16-6-7-17-29)33-23-9-2-1-3-10-23)35-18-14-22(15-19-35)27-32-26(34-37-27)25-13-12-21-8-4-5-11-24(21)31-25/h4-5,8,11-13,22-23,33H,1-3,6-7,9-10,14-20H2,(H,30,36)
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| InChIKey |
KTMRSBPRMZBLDM-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