General Information of the Compound
| Compound ID |
CP0776107
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| Compound Name |
trans-5-(2-(1H-pyrazol-4-yl)vinyl)-N-(1-(3-amino-3-oxopropyl)-5-(N-methylbenzamido)-1H-benzo[d]imidazol-2(3H)-ylidene)thiophene-2-carboxamide
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| Structure |
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| Formula |
C28H25N7O3S
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| Molecular Weight |
539.621
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=N\C(=O)c1ccc(/C=C/c3cn[nH]c3)s1)n2CCC(N)=O
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| InChI |
InChI=1S/C28H25N7O3S/c1-34(27(38)19-5-3-2-4-6-19)20-8-11-23-22(15-20)32-28(35(23)14-13-25(29)36)33-26(37)24-12-10-21(39-24)9-7-18-16-30-31-17-18/h2-12,15-17H,13-14H2,1H3,(H2,29,36)(H,30,31)(H,32,33,37)/b9-7+
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| InChIKey |
CQYAVXIHIFJOCO-VQHVLOKHSA-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