General Information of the Compound
| Compound ID |
CP0553415
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| Compound Name |
N-[[(2R)-1-[4-(2-hydroxyethylamino)-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 |
C29H36N8O3S2
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| Molecular Weight |
608.794
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| Canonical SMILES |
CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCO)nc(NCc2csc(n2)-c2ccccc2)n1
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| InChI |
InChI=1S/C29H36N8O3S2/c1-2-7-21-11-13-25(14-12-21)42(39,40)32-19-24-10-6-16-37(24)29-35-27(30-15-17-38)34-28(36-29)31-18-23-20-41-26(33-23)22-8-4-3-5-9-22/h3-5,8-9,11-14,20,24,32,38H,2,6-7,10,15-19H2,1H3,(H2,30,31,34,35,36)/t24-/m1/s1
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| InChIKey |
KXTJCVAXKHHIAZ-XMMPIXPASA-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