General Information of the Compound
| Compound ID |
CP0155221
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| Compound Name |
(E)-3-[3-[[(E)-(4-chlorophenyl)methylideneamino]carbamoylamino]-4-(dibutylamino)phenyl]but-2-enoic acid
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| Structure |
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| Formula |
C26H33ClN4O3
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| Molecular Weight |
485.028
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| Canonical SMILES |
CCCCN(CCCC)c1ccc(cc1NC(=O)N\N=C\c1ccc(Cl)cc1)C(\C)=C\C(O)=O
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| InChI |
InChI=1S/C26H33ClN4O3/c1-4-6-14-31(15-7-5-2)24-13-10-21(19(3)16-25(32)33)17-23(24)29-26(34)30-28-18-20-8-11-22(27)12-9-20/h8-13,16-18H,4-7,14-15H2,1-3H3,(H,32,33)(H2,29,30,34)/b19-16+,28-18+
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| InChIKey |
RQEVSFPKXGMNIR-XYKXINCNSA-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