General Information of the Compound
| Compound ID |
CP0568575
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| Compound Name |
CHEMBL5173450
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| Formula |
C24H33N9O3
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| Molecular Weight |
495.588
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| Canonical SMILES |
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccn(C)c(=O)c12
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| InChI |
InChI=1S/C24H33N9O3/c1-30-9-8-19-20(22(30)34)21(29-23(28-19)27-17-14-25-31(2)15-17)26-16-4-6-18(7-5-16)32-10-12-33(13-11-32)24(35)36-3/h8-9,14-16,18H,4-7,10-13H2,1-3H3,(H2,26,27,28,29)/t16-,18-
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| InChIKey |
YBTJPMATJNNXNI-SAABIXHNSA-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