General Information of the Compound
| Compound ID |
CP0561162
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| Compound Name |
US10501411, Example 287
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| Structure |
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| Formula |
C20H25N5O2
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| Molecular Weight |
367.453
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C1CNCCO1)C1CCN(CC1)c1ccncn1
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| InChI |
InChI=1S/C20H25N5O2/c26-20(16-6-10-25(11-7-16)19-5-8-22-14-23-19)24-17-3-1-15(2-4-17)18-13-21-9-12-27-18/h1-5,8,14,16,18,21H,6-7,9-13H2,(H,24,26)
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| InChIKey |
NFWLJFBIOKZROR-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