General Information of the Compound
| Compound ID |
CP0914624
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| Compound Name |
N-(1-(3-chlorophenyl)cyclopropyl)-2-(3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide
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| Structure |
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| Formula |
C16H14ClN5O2
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| Molecular Weight |
343.774
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| Canonical SMILES |
O=C(Cn1nc2cccnn2c1=O)NC1(c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C16H14ClN5O2/c17-12-4-1-3-11(9-12)16(6-7-16)19-14(23)10-21-15(24)22-13(20-21)5-2-8-18-22/h1-5,8-9H,6-7,10H2,(H,19,23)
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| InChIKey |
DAJRHZBLOSVJEC-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