General Information of the Compound
| Compound ID |
CP0449949
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| Compound Name |
N-[[(2R)-1-[4-(cyclopropylmethylamino)-6-[(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 |
C27H29F3N8O2S3
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| Molecular Weight |
650.778
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCC2CC2)nc(NCc2csc(n2)-c2cccs2)n1
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| InChI |
InChI=1S/C27H29F3N8O2S3/c28-27(29,30)18-7-9-21(10-8-18)43(39,40)33-15-20-3-1-11-38(20)26-36-24(31-13-17-5-6-17)35-25(37-26)32-14-19-16-42-23(34-19)22-4-2-12-41-22/h2,4,7-10,12,16-17,20,33H,1,3,5-6,11,13-15H2,(H2,31,32,35,36,37)/t20-/m1/s1
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| InChIKey |
GCCWHTUOVSYXKT-HXUWFJFHSA-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