General Information of the Compound
| Compound ID |
CP0548072
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| Compound Name |
US11697636, Example 181
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| Structure |
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| Formula |
C16H16ClN3O
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| Molecular Weight |
301.777
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1ccc(cn1)C1CCNC1
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| InChI |
InChI=1S/C16H16ClN3O/c17-14-4-1-11(2-5-14)16(21)20-15-6-3-12(10-19-15)13-7-8-18-9-13/h1-6,10,13,18H,7-9H2,(H,19,20,21)
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| InChIKey |
JINKBKPOZQLKFW-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