General Information of the Compound
| Compound ID |
CP0964027
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| Compound Name |
(S)-3-(2-(4-(difluoromethoxy)phenyl)-5,7-difluoro-1H-indol-3-yl)-N-(2-oxopyrrolidin-3-yl)propanamide
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| Structure |
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| Formula |
C22H19F4N3O3
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| Molecular Weight |
449.404
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| Canonical SMILES |
O=C(CCc1c(-c2ccc(OC(F)F)cc2)[nH]c2c(F)cc(F)cc12)N[C@H]1CCNC1=O
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| InChI |
InChI=1S/C22H19F4N3O3/c23-12-9-15-14(5-6-18(30)28-17-7-8-27-21(17)31)19(29-20(15)16(24)10-12)11-1-3-13(4-2-11)32-22(25)26/h1-4,9-10,17,22,29H,5-8H2,(H,27,31)(H,28,30)/t17-/m0/s1
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| InChIKey |
DEAZMFKHTBYOFZ-KRWDZBQOSA-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