General Information of the Compound
| Compound ID |
CP0962136
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| Compound Name |
2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-1-[(R)-4-[4-(4-fluoro-5-morpholin-4yl-1H-benzoimidazol-2-yl)-2-trifluoromethyl-thiazol-5-yl]-2-methyl-piperazin-1-yl]-ethanone
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| Structure |
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| Formula |
C26H29F4N9O2S
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| Molecular Weight |
607.638
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| Canonical SMILES |
Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(N5CCOCC5)c(F)c4[nH]3)C[C@H]2C)n1
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| InChI |
InChI=1S/C26H29F4N9O2S/c1-14-12-37(6-7-38(14)19(40)13-39-16(3)31-15(2)35-39)24-22(34-25(42-24)26(28,29)30)23-32-17-4-5-18(20(27)21(17)33-23)36-8-10-41-11-9-36/h4-5,14H,6-13H2,1-3H3,(H,32,33)/t14-/m1/s1
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| InChIKey |
TZAGAEQMJDXULY-CQSZACIVSA-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