General Information of the Compound
| Compound ID |
CP0446325
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| Compound Name |
N-[[(2R)-1-[4-(cyclopentylamino)-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(NCc2csc(n2)-c2ccccc2)nc(NC2CCCC2)n1
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| InChI |
InChI=1S/C32H40N8O2S2/c1-2-9-23-15-17-28(18-16-23)44(41,42)34-21-27-14-8-19-40(27)32-38-30(37-31(39-32)36-25-12-6-7-13-25)33-20-26-22-43-29(35-26)24-10-4-3-5-11-24/h3-5,10-11,15-18,22,25,27,34H,2,6-9,12-14,19-21H2,1H3,(H2,33,36,37,38,39)/t27-/m1/s1
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| InChIKey |
WGJMFQOEJWHTQY-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