General Information of the Compound
| Compound ID |
CP0315772
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| Compound Name |
CHEMBL2159207
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| Formula |
C17H21N5O
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| Molecular Weight |
311.389
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| Canonical SMILES |
CC(=O)N[C@H]1CC[C@@H](CC1)n1c(C)nc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C17H21N5O/c1-10-20-15-9-19-17-14(7-8-18-17)16(15)22(10)13-5-3-12(4-6-13)21-11(2)23/h7-9,12-13H,3-6H2,1-2H3,(H,18,19)(H,21,23)/t12-,13-
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| InChIKey |
KWKMUTBWQNMORT-JOCQHMNTSA-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