General Information of the Compound
| Compound ID |
CP0968716
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| Compound Name |
(S)-3-(5-(benzyloxy)-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C28H26FN3O3
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| Molecular Weight |
471.532
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| Canonical SMILES |
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(OCc3ccccc3)cc12)N[C@H]1CCNC1=O
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| InChI |
InChI=1S/C28H26FN3O3/c29-20-8-6-19(7-9-20)27-22(11-13-26(33)31-25-14-15-30-28(25)34)23-16-21(10-12-24(23)32-27)35-17-18-4-2-1-3-5-18/h1-10,12,16,25,32H,11,13-15,17H2,(H,30,34)(H,31,33)/t25-/m0/s1
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| InChIKey |
JICYERSNZJDUID-VWLOTQADSA-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