General Information of the Compound
| Compound ID |
CP0523356
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| Compound Name |
N-[[(2R)-1-[4-(2-cyclopropylethylamino)-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 |
C32H40N8O2S2
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| Molecular Weight |
632.86
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| Canonical SMILES |
CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC2CC2)nc(NCc2csc(n2)-c2ccccc2)n1
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| InChI |
InChI=1S/C32H40N8O2S2/c1-2-7-23-13-15-28(16-14-23)44(41,42)35-21-27-10-6-19-40(27)32-38-30(33-18-17-24-11-12-24)37-31(39-32)34-20-26-22-43-29(36-26)25-8-4-3-5-9-25/h3-5,8-9,13-16,22,24,27,35H,2,6-7,10-12,17-21H2,1H3,(H2,33,34,37,38,39)/t27-/m1/s1
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| InChIKey |
KEDJTYJBSLCPJW-HHHXNRCGSA-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