General Information of the Compound
| Compound ID |
CP0041010
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| Compound Name |
(2S,4S)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C19H28N6O2S2
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| Molecular Weight |
436.607
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| Canonical SMILES |
CN(C)[C@H]1C[C@H](N(C1)C(=O)Nc1nc(C)c(s1)-c1csc(n1)C(C)(C)C)C(N)=O
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| InChI |
InChI=1S/C19H28N6O2S2/c1-10-14(12-9-28-16(22-12)19(2,3)4)29-17(21-10)23-18(27)25-8-11(24(5)6)7-13(25)15(20)26/h9,11,13H,7-8H2,1-6H3,(H2,20,26)(H,21,23,27)/t11-,13-/m0/s1
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| InChIKey |
MCNSLFPRKDRJAG-AAEUAGOBSA-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