General Information of the Compound
| Compound ID |
CP0077926
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| Compound Name |
N-[2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]ethyl]-7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
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| Structure |
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| Formula |
C27H29N5O3S
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| Molecular Weight |
503.628
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| Canonical SMILES |
CCN1CCN(CC1)C(=O)c1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2cccs2)cc1
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| InChI |
InChI=1S/C27H29N5O3S/c1-2-31-13-15-32(16-14-31)27(35)19-7-5-18(6-8-19)11-12-28-26(34)20-9-10-21(33)24-23(20)29-25(30-24)22-4-3-17-36-22/h3-10,17,33H,2,11-16H2,1H3,(H,28,34)(H,29,30)
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| InChIKey |
QDFXOCRBJHKAQV-UHFFFAOYSA-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