General Information of the Compound
| Compound ID |
CP0375406
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| Compound Name |
CHEMBL469904
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| Formula |
C28H36N8O
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| Molecular Weight |
500.651
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| Canonical SMILES |
Cn1c(nc2ccccc12)N(Cc1ccc(cc1)C(=O)NCc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C
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| InChI |
InChI=1S/C28H36N8O/c1-28(2,3)21-13-15-22(16-14-21)36(27-30-23-7-5-6-8-24(23)35(27)4)18-19-9-11-20(12-10-19)26(37)29-17-25-31-33-34-32-25/h5-12,21-22H,13-18H2,1-4H3,(H,29,37)(H,31,32,33,34)/t21-,22-
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| InChIKey |
WOCOPPOJDSBENE-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