General Information of the Compound
| Compound ID |
CP0439284
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| Compound Name |
4-amino-5-chloro-2-methoxy-N-[1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C20H32ClN5O4S
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| Molecular Weight |
474.027
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2CCN(CC2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C20H32ClN5O4S/c1-30-19-14-18(22)17(21)13-16(19)20(27)23-15-3-5-24(6-4-15)7-8-25-9-11-26(12-10-25)31(2,28)29/h13-15H,3-12,22H2,1-2H3,(H,23,27)
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| InChIKey |
XDRBJZPCDZQUAX-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