General Information of the Compound
| Compound ID |
CP0969680
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| Compound Name |
(S)-3-(5-cyano-7-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C22H18F2N4O2
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| Molecular Weight |
408.408
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| Canonical SMILES |
N#Cc1cc(F)c2[nH]c(-c3ccc(F)cc3)c(CCC(=O)N[C@H]3CCNC3=O)c2c1
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| InChI |
InChI=1S/C22H18F2N4O2/c23-14-3-1-13(2-4-14)20-15(5-6-19(29)27-18-7-8-26-22(18)30)16-9-12(11-25)10-17(24)21(16)28-20/h1-4,9-10,18,28H,5-8H2,(H,26,30)(H,27,29)/t18-/m0/s1
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| InChIKey |
MMULHZUGSIJOPV-SFHVURJKSA-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