General Information of the Compound
| Compound ID |
CP0321494
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| Compound Name |
US8609647, 44
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| Structure |
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| Formula |
C16H21N5O2
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| Molecular Weight |
315.377
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| Canonical SMILES |
OCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C16H21N5O2/c22-9-13(23)21-8-2-5-16(21)4-1-7-20(10-16)15-12-3-6-17-14(12)18-11-19-15/h3,6,11,22H,1-2,4-5,7-10H2,(H,17,18,19)
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| InChIKey |
NIFSMXGORASSPG-UHFFFAOYSA-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