General Information of the Compound
| Compound ID |
CP0647655
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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-(6-aminopyridin-2-yl)vinyl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C30H27N7O3S
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| Molecular Weight |
565.659
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=N\C(=O)c1ccc(/C=C/c3cccc(N)n3)s1)n2CCC(N)=O
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| InChI |
InChI=1S/C30H27N7O3S/c1-36(29(40)19-6-3-2-4-7-19)21-11-14-24-23(18-21)34-30(37(24)17-16-27(32)38)35-28(39)25-15-13-22(41-25)12-10-20-8-5-9-26(31)33-20/h2-15,18H,16-17H2,1H3,(H2,31,33)(H2,32,38)(H,34,35,39)/b12-10+
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| InChIKey |
OSXNSJYAHZGKMH-ZRDIBKRKSA-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