General Information of the Compound
| Compound ID |
CP0194789
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| Compound Name |
CHEMBL2152423
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| Formula |
C17H21N5O2
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| Molecular Weight |
327.388
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| Canonical SMILES |
COC(=O)N(C)[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C17H21N5O2/c1-21(17(23)24-2)11-3-5-12(6-4-11)22-10-20-14-9-19-16-13(15(14)22)7-8-18-16/h7-12H,3-6H2,1-2H3,(H,18,19)/t11-,12-
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| InChIKey |
BJZMSCPZZCANOI-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