General Information of the Compound
| Compound ID |
CP0891032
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| Compound Name |
(S)-N-(3-(6-((3-methylpiperazin-1-yl)methyl)pyridin-2-yl)benzyl)benzo[d][1,3]dioxole-5-carboxamide
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| Structure |
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
C[C@H]1CN(Cc2cccc(-c3cccc(CNC(=O)c4ccc5c(c4)OCO5)c3)n2)CCN1
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| InChI |
InChI=1S/C26H28N4O3/c1-18-15-30(11-10-27-18)16-22-6-3-7-23(29-22)20-5-2-4-19(12-20)14-28-26(31)21-8-9-24-25(13-21)33-17-32-24/h2-9,12-13,18,27H,10-11,14-17H2,1H3,(H,28,31)/t18-/m0/s1
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| InChIKey |
KGIOAIQTLWUAAN-SFHVURJKSA-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