General Information of the Compound
| Compound ID |
CP0867928
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| Compound Name |
(S)-N-(3-(5-((3-methylpiperazin-1-yl)methyl)thiophen-2-yl)benzyl)benzo[d][1,3]dioxole-5-carboxamide
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| Structure |
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| Formula |
C25H27N3O3S
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| Molecular Weight |
449.576
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(-c3cccc(CNC(=O)c4ccc5c(c4)OCO5)c3)s2)CCN1
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| InChI |
InChI=1S/C25H27N3O3S/c1-17-14-28(10-9-26-17)15-21-6-8-24(32-21)19-4-2-3-18(11-19)13-27-25(29)20-5-7-22-23(12-20)31-16-30-22/h2-8,11-12,17,26H,9-10,13-16H2,1H3,(H,27,29)/t17-/m0/s1
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| InChIKey |
XGNSQBMWUTXLPY-KRWDZBQOSA-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