General Information of the Compound
| Compound ID |
CP0438908
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| Compound Name |
propan-2-yl 4-[[6-[4-(dimethylcarbamoyl)piperazin-1-yl]pyridin-3-yl]oxymethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H35N5O4
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| Molecular Weight |
433.553
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)C(=O)N(C)C)CC1
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| InChI |
InChI=1S/C22H35N5O4/c1-17(2)31-22(29)27-9-7-18(8-10-27)16-30-19-5-6-20(23-15-19)25-11-13-26(14-12-25)21(28)24(3)4/h5-6,15,17-18H,7-14,16H2,1-4H3
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| InChIKey |
QUFNQJPLOOKXGX-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