General Information of the Compound
| Compound ID |
CP0557294
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| Compound Name |
US8802711, 38
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| Structure |
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| Formula |
C18H19N5O
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| Molecular Weight |
321.384
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| Canonical SMILES |
O=C(N[C@@H]1CC[C@@H](C1)c1ccccn1)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C18H19N5O/c24-18(22-16-5-3-6-17-14(16)11-20-23-17)21-13-8-7-12(10-13)15-4-1-2-9-19-15/h1-6,9,11-13H,7-8,10H2,(H,20,23)(H2,21,22,24)/t12-,13+/m0/s1
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| InChIKey |
NYRYHBOJBYCZTL-QWHCGFSZSA-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