General Information of the Compound
| Compound ID |
CP0515629
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| Compound Name |
N-[[(2R)-1-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C23H22F3N7O2S3
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| Molecular Weight |
581.671
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1ncnc(NCc2csc(n2)-c2cccs2)n1
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| InChI |
InChI=1S/C23H22F3N7O2S3/c24-23(25,26)15-5-7-18(8-6-15)38(34,35)30-12-17-3-1-9-33(17)22-29-14-28-21(32-22)27-11-16-13-37-20(31-16)19-4-2-10-36-19/h2,4-8,10,13-14,17,30H,1,3,9,11-12H2,(H,27,28,29,32)/t17-/m1/s1
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| InChIKey |
BWCYOFVECTXJOZ-QGZVFWFLSA-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