General Information of the Compound
| Compound ID |
CP0539206
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| Compound Name |
6-methoxy-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]quinoline-3-carbonitrile
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
COc1ccc2ncc(C#N)c(N3CCC(Cc4nc(no4)C(C)C)CC3)c2c1
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| InChI |
InChI=1S/C22H25N5O2/c1-14(2)22-25-20(29-26-22)10-15-6-8-27(9-7-15)21-16(12-23)13-24-19-5-4-17(28-3)11-18(19)21/h4-5,11,13-15H,6-10H2,1-3H3
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| InChIKey |
OIKGUIRGSMTFAP-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1