General Information of the Compound
| Compound ID |
CP0869563
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| Compound Name |
(3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)phenyl)(4-phenylpiperazin-1-yl)methanone methanesulfonate
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| Structure |
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| Formula |
C23H27N5O5S
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| Molecular Weight |
485.566
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| Canonical SMILES |
CS(=O)(=O)O.NCc1cc(Oc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)ncn1
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| InChI |
InChI=1S/C22H23N5O2.CH4O3S/c23-15-18-14-21(25-16-24-18)29-20-8-4-5-17(13-20)22(28)27-11-9-26(10-12-27)19-6-2-1-3-7-19;1-5(2,3)4/h1-8,13-14,16H,9-12,15,23H2;1H3,(H,2,3,4)
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| InChIKey |
QFHXZPXIYFMPAK-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