General Information of the Compound
| Compound ID |
CP0384161
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| Compound Name |
N,N-dimethyl-1-[5-[(3R)-2-oxo-3-[4-(1,3-thiazol-2-yl)phenoxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide
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| Structure |
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| Formula |
C23H24N6O3S
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| Molecular Weight |
464.551
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| Canonical SMILES |
CN(C)C(=O)C1CN(C1)c1ncc(cn1)N1CC[C@@H](Oc2ccc(cc2)-c2nccs2)C1=O
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| InChI |
InChI=1S/C23H24N6O3S/c1-27(2)21(30)16-13-28(14-16)23-25-11-17(12-26-23)29-9-7-19(22(29)31)32-18-5-3-15(4-6-18)20-24-8-10-33-20/h3-6,8,10-12,16,19H,7,9,13-14H2,1-2H3/t19-/m1/s1
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| InChIKey |
FHSLLYSFFKGMPJ-LJQANCHMSA-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