General Information of the Compound
| Compound ID |
CP0393744
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| Compound Name |
(S)-4-(3-(2-((1-(2-(2-(2-(4-((4-(1-acetyl-6-biphenyl-4-ylcarboxamido-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-4-yl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methylamino)-2-oxoethylamino)phenyl)-5-amino-N-tert-butyl-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C65H72N14O7S2
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| Molecular Weight |
1225.516
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| Canonical SMILES |
CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCn4cc(COc5ccc(cc5)[C@]5(C)CC(C)(C)N(C(C)=O)c6ccc(NC(=O)c7ccc(cc7)-c7ccccc7)cc56)nn4)nn3)c2)c2c(N)c(sc2n1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C65H72N14O7S2/c1-41(80)79-53-26-23-48(69-59(82)44-19-17-43(18-20-44)42-13-10-9-11-14-42)34-52(53)65(7,40-64(79,5)6)46-21-24-51(25-22-46)86-39-50-38-78(76-74-50)28-30-85-32-31-84-29-27-77-37-49(73-75-77)35-68-54(81)36-67-47-16-12-15-45(33-47)57-55-56(66)58(60(83)72-63(2,3)4)88-61(55)71-62(70-57)87-8/h9-26,33-34,37-38,67H,27-32,35-36,39-40,66H2,1-8H3,(H,68,81)(H,69,82)(H,72,83)/t65-/m0/s1
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| InChIKey |
LPTFUKMDWXCPBR-FZWUFXCXSA-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