General Information of the Compound
| Compound ID |
CP0955422
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| Compound Name |
(R)-3-(5,7-difluoro-2-(p-tolyl)-1H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C22H21F2N3O2
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| Molecular Weight |
397.425
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| Canonical SMILES |
Cc1ccc(-c2[nH]c3c(F)cc(F)cc3c2CCC(=O)N[C@@H]2CCNC2=O)cc1
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| InChI |
InChI=1S/C22H21F2N3O2/c1-12-2-4-13(5-3-12)20-15(16-10-14(23)11-17(24)21(16)27-20)6-7-19(28)26-18-8-9-25-22(18)29/h2-5,10-11,18,27H,6-9H2,1H3,(H,25,29)(H,26,28)/t18-/m1/s1
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| InChIKey |
PKXTUYUIPYXUEP-GOSISDBHSA-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