General Information of the Compound
| Compound ID |
CP0110474
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| Compound Name |
N-[[(2R)-1-[4-(2-cyanoethylamino)-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 |
C30H35N9O2S2
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| Molecular Weight |
617.805
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| Canonical SMILES |
CCCc1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC#N)nc(NCc2csc(n2)-c2ccccc2)n1
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| InChI |
InChI=1S/C30H35N9O2S2/c1-2-8-22-12-14-26(15-13-22)43(40,41)34-20-25-11-6-18-39(25)30-37-28(32-17-7-16-31)36-29(38-30)33-19-24-21-42-27(35-24)23-9-4-3-5-10-23/h3-5,9-10,12-15,21,25,34H,2,6-8,11,17-20H2,1H3,(H2,32,33,36,37,38)/t25-/m1/s1
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| InChIKey |
LBWXQSGZOWXNEF-RUZDIDTESA-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