General Information of the Compound
| Compound ID |
CP0441812
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| Compound Name |
5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-4-amine
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| Structure |
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| Formula |
C22H21N9O2S
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| Molecular Weight |
475.538
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| Canonical SMILES |
[O-][N+](=O)c1c(Nc2ccc(cc2)-n2cncn2)ncnc1N1CCC(CC1)Sc1ccccn1
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| InChI |
InChI=1S/C22H21N9O2S/c32-31(33)20-21(28-16-4-6-17(7-5-16)30-15-23-13-27-30)25-14-26-22(20)29-11-8-18(9-12-29)34-19-3-1-2-10-24-19/h1-7,10,13-15,18H,8-9,11-12H2,(H,25,26,28)
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| InChIKey |
XPABZYFJCKZPIF-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