General Information of the Compound
| Compound ID |
CP0388107
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| Compound Name |
4-amino-5-chloro-2-methoxy-N-[1-[5-(4-methylsulfonylpiperazin-1-yl)pentyl]piperidin-4-yl]benzamide
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| Structure |
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| Formula |
C23H38ClN5O4S
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| Molecular Weight |
516.108
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCN(CC2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C23H38ClN5O4S/c1-33-22-17-21(25)20(24)16-19(22)23(30)26-18-6-10-27(11-7-18)8-4-3-5-9-28-12-14-29(15-13-28)34(2,31)32/h16-18H,3-15,25H2,1-2H3,(H,26,30)
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| InChIKey |
QOZVOJAVOGWBBG-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