General Information of the Compound
| Compound ID |
CP0498642
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| Compound Name |
propan-2-yl 4-[[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C21H32N4O4
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| Molecular Weight |
404.511
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)C(C)=O)CC1
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| InChI |
InChI=1S/C21H32N4O4/c1-16(2)29-21(27)25-8-6-18(7-9-25)15-28-19-4-5-20(22-14-19)24-12-10-23(11-13-24)17(3)26/h4-5,14,16,18H,6-13,15H2,1-3H3
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| InChIKey |
COLFJIUDIQYQTR-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