General Information of the Compound
| Compound ID |
CP0573248
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| Compound Name |
CHEMBL4794701
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| Formula |
C18H21N7O2
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| Molecular Weight |
367.413
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| Canonical SMILES |
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@@H](CC3)C(N)=O)nc12
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| InChI |
InChI=1S/C18H21N7O2/c1-27-14-8-6-13(7-9-14)25-17-15(23-24-25)10-20-18(22-17)21-12-4-2-11(3-5-12)16(19)26/h6-12H,2-5H2,1H3,(H2,19,26)(H,20,21,22)/t11-,12-
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| InChIKey |
JDUQEHFYOAZGKI-HAQNSBGRSA-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