General Information of the Compound
| Compound ID |
CP0170481
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| Compound Name |
CHEMBL448921
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| Formula |
C33H44N8O2
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| Molecular Weight |
584.769
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| Canonical SMILES |
Cn1c(nc2cc(OCC3CCCC3)ccc12)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/C33H44N8O2/c1-33(2,3)25-13-15-26(16-14-25)41(20-22-9-11-24(12-10-22)30(42)35-31-36-38-39-37-31)32-34-28-19-27(17-18-29(28)40(32)4)43-21-23-7-5-6-8-23/h9-12,17-19,23,25-26H,5-8,13-16,20-21H2,1-4H3,(H2,35,36,37,38,39,42)/t25-,26-
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| InChIKey |
KJIBSXNERLKBDV-DIVCQZSQSA-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