General Information of the Compound
| Compound ID |
CP0132702
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| Compound Name |
US10501467, Example 37
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| Structure |
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| Formula |
C17H20N4O
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| Molecular Weight |
296.374
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| Canonical SMILES |
CN(C)CCn1c2CCCc3n[nH]c(=O)c4cccc1c4c23
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| InChI |
InChI=1S/C17H20N4O/c1-20(2)9-10-21-13-7-3-5-11-15(13)16-12(18-19-17(11)22)6-4-8-14(16)21/h3,5,7H,4,6,8-10H2,1-2H3,(H,19,22)
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| InChIKey |
CIRNFRVHNPNZGP-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