General Information of the Compound
| Compound ID |
CP0523355
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| Compound Name |
N-[[(2R)-1-[4-(oxan-4-ylmethylamino)-6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-propylbenzenesulfonamide
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| Structure |
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| Formula |
C33H42N8O3S2
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| Molecular Weight |
662.886
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| Canonical SMILES |
CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCC2CCOCC2)nc(NCc2csc(n2)-c2ccccc2)n1
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| InChI |
InChI=1S/C33H42N8O3S2/c1-2-7-24-11-13-29(14-12-24)46(42,43)36-22-28-10-6-17-41(28)33-39-31(34-20-25-15-18-44-19-16-25)38-32(40-33)35-21-27-23-45-30(37-27)26-8-4-3-5-9-26/h3-5,8-9,11-14,23,25,28,36H,2,6-7,10,15-22H2,1H3,(H2,34,35,38,39,40)/t28-/m1/s1
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| InChIKey |
FGSTZZQAEPJJMJ-MUUNZHRXSA-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