General Information of the Compound
| Compound ID |
CP0767280
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| Compound Name |
trans-methyl 3-(5-(1-(3-amino-3-oxopropyl)-5-(N-methylbenzamido)-1H-benzo[d]imidazol-2(3H)-ylidenecarbamoyl)thiophen-2-yl)acrylate
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| Structure |
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| Formula |
C27H25N5O5S
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| Molecular Weight |
531.594
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| Canonical SMILES |
COC(=O)/C=C/c1ccc(C(=O)/N=c2\[nH]c3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1
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| InChI |
InChI=1S/C27H25N5O5S/c1-31(26(36)17-6-4-3-5-7-17)18-8-11-21-20(16-18)29-27(32(21)15-14-23(28)33)30-25(35)22-12-9-19(38-22)10-13-24(34)37-2/h3-13,16H,14-15H2,1-2H3,(H2,28,33)(H,29,30,35)/b13-10+
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| InChIKey |
TXZJMLIZASNMPH-JLHYYAGUSA-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