General Information of the Compound
| Compound ID |
CP0560048
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| Compound Name |
4-[5-[5-[4-[(E)-N-ethoxy-C-methylcarbonimidoyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
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| Structure |
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| Formula |
C22H31N5O4S
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| Molecular Weight |
461.588
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| Canonical SMILES |
CCO\N=C(/C)c1ccc(OCCCCCN2CCN(c3ccnc(N)c3)S2(=O)=O)cc1
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| InChI |
InChI=1S/C22H31N5O4S/c1-3-31-25-18(2)19-7-9-21(10-8-19)30-16-6-4-5-13-26-14-15-27(32(26,28)29)20-11-12-24-22(23)17-20/h7-12,17H,3-6,13-16H2,1-2H3,(H2,23,24)/b25-18+
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| InChIKey |
DEIXBFZTRBKFRL-XIEYBQDHSA-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