General Information of the Compound
| Compound ID |
CP0480947
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| Compound Name |
(2S)-N-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C23H29F4N5O3S
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| Molecular Weight |
531.576
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| Canonical SMILES |
C[C@H](C(=O)NCc1ccc(nc1N1CC[C@@H](C1)N(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C23H29F4N5O3S/c1-14(15-5-7-19(18(24)11-15)30-36(4,34)35)22(33)28-12-16-6-8-20(23(25,26)27)29-21(16)32-10-9-17(13-32)31(2)3/h5-8,11,14,17,30H,9-10,12-13H2,1-4H3,(H,28,33)/t14-,17-/m0/s1
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| InChIKey |
KIWYEAPLDOPERF-YOEHRIQHSA-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