General Information of the Compound
| Compound ID |
CP0957724
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| Compound Name |
5-fluoro-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 |
C25H26FN5O2
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| Molecular Weight |
447.514
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| Canonical SMILES |
O=C(NCCN1CC2CC(n3c(=O)[nH]c4ccccc43)CC2C1)c1cc2cc(F)ccc2[nH]1
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| InChI |
InChI=1S/C25H26FN5O2/c26-18-5-6-20-15(9-18)12-22(28-20)24(32)27-7-8-30-13-16-10-19(11-17(16)14-30)31-23-4-2-1-3-21(23)29-25(31)33/h1-6,9,12,16-17,19,28H,7-8,10-11,13-14H2,(H,27,32)(H,29,33)
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| InChIKey |
SHTZQICSLLBOBJ-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