General Information of the Compound
| Compound ID |
CP0391895
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| Compound Name |
4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
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| Structure |
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| Formula |
C23H31N5O4S
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| Molecular Weight |
473.599
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| Canonical SMILES |
CCO\N=C1/CCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc12
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| InChI |
InChI=1S/C23H31N5O4S/c1-2-32-26-22-9-6-18-16-20(7-8-21(18)22)31-15-5-3-4-12-27-13-14-28(33(27,29)30)19-10-11-25-23(24)17-19/h7-8,10-11,16-17H,2-6,9,12-15H2,1H3,(H2,24,25)/b26-22+
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| InChIKey |
RPOJRJQAEGPSHW-XTCLZLMSSA-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