General Information of the Compound
| Compound ID |
CP0483569
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| Compound Name |
CHEMBL4096151
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| Formula |
C36H47FN10O2
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| Molecular Weight |
670.838
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| Canonical SMILES |
CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2-n2cnc(C#N)c12
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| InChI |
InChI=1S/C36H47FN10O2/c1-5-30-33-29(18-38)40-21-46(33)31-19-39-36(43-34(31)47(30)22(2)3)42-28-17-27(37)26(16-32(28)49-4)35(48)41-24-8-10-25(11-9-24)45-14-12-44(13-15-45)20-23-6-7-23/h16-17,19,21-25,30H,5-15,20H2,1-4H3,(H,41,48)(H,39,42,43)/t24-,25-,30-/m1/s1
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| InChIKey |
CKAZLPSHMQDEHE-OYPUMOIUSA-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