General Information of the Compound
| Compound ID |
CP0041061
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| Compound Name |
(2S)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-methylpyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C18H25N5O2S2
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| Molecular Weight |
407.565
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| Canonical SMILES |
Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1csc(n1)C(C)(C)C
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| InChI |
InChI=1S/C18H25N5O2S2/c1-10-12(11-9-26-14(21-11)17(2,3)4)27-15(20-10)22-16(25)23-8-6-7-18(23,5)13(19)24/h9H,6-8H2,1-5H3,(H2,19,24)(H,20,22,25)/t18-/m0/s1
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| InChIKey |
YDXUAMKMQQJWAK-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