General Information of the Compound
| Compound ID |
CP0647651
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| Compound Name |
trans-N-(1-(3-amino-3-oxopropyl)-5-(N-methylbenzamido)-1H-benzo[d]imidazol-2(3H)-ylidene)-5-(2-aminostyryl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C31H28N6O3S
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| Molecular Weight |
564.671
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=N\C(=O)c1ccc(/C=C/c3ccccc3N)s1)n2CCC(N)=O
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| InChI |
InChI=1S/C31H28N6O3S/c1-36(30(40)21-8-3-2-4-9-21)22-12-15-26-25(19-22)34-31(37(26)18-17-28(33)38)35-29(39)27-16-14-23(41-27)13-11-20-7-5-6-10-24(20)32/h2-16,19H,17-18,32H2,1H3,(H2,33,38)(H,34,35,39)/b13-11+
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| InChIKey |
GGBDCAWRVMVBPG-ACCUITESSA-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