General Information of the Compound
| Compound ID |
CP0525960
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| Compound Name |
CHEMBL507829
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| Formula |
C32H36N8O
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| Molecular Weight |
548.695
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1nc2ccccc2n1-c1ccccc1
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| InChI |
InChI=1S/C32H36N8O/c1-32(2,3)24-17-19-25(20-18-24)39(21-22-13-15-23(16-14-22)29(41)34-30-35-37-38-36-30)31-33-27-11-7-8-12-28(27)40(31)26-9-5-4-6-10-26/h4-16,24-25H,17-21H2,1-3H3,(H2,34,35,36,37,38,41)/t24-,25-
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| InChIKey |
GPAODLDAHNOFFE-SOAUALDESA-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