General Information of the Compound
| Compound ID |
CP0904840
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| Compound Name |
N-(2-(5-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)ethyl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C25H27N5O2
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| Molecular Weight |
429.524
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| Canonical SMILES |
O=C(NCCN1CC2CC(n3c(=O)[nH]c4ccccc43)CC2C1)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H27N5O2/c31-24(22-13-16-5-1-2-6-20(16)27-22)26-9-10-29-14-17-11-19(12-18(17)15-29)30-23-8-4-3-7-21(23)28-25(30)32/h1-8,13,17-19,27H,9-12,14-15H2,(H,26,31)(H,28,32)
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| InChIKey |
WQIAHGPFPKAAQF-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