General Information of the Compound
| Compound ID |
CP0475034
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| Compound Name |
CHEMBL517861
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| Formula |
C28H36N8O
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| Molecular Weight |
500.651
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| Canonical SMILES |
Cc1ccc2n(C)c(nc2c1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C
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| InChI |
InChI=1S/C28H36N8O/c1-18-6-15-24-23(16-18)29-27(35(24)5)36(22-13-11-21(12-14-22)28(2,3)4)17-19-7-9-20(10-8-19)25(37)30-26-31-33-34-32-26/h6-10,15-16,21-22H,11-14,17H2,1-5H3,(H2,30,31,32,33,34,37)/t21-,22-
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| InChIKey |
DLOPLEOQMLMFQP-HZCBDIJESA-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