General Information of the Compound
| Compound ID |
CP0397264
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| Compound Name |
CHEMBL2414701
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| Formula |
C23H29N5O3
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| Molecular Weight |
423.517
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| Canonical SMILES |
CCNC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O
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| InChI |
InChI=1S/C23H29N5O3/c1-2-25-19(29)13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28-11-12-31-22-20(23(28)30)21(24)26-14-27-22/h7-10,14-16H,2-6,11-13H2,1H3,(H,25,29)(H2,24,26,27)/t15-,16-
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| InChIKey |
GHUQKVSFWUZIJR-WKILWMFISA-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