General Information of the Compound
| Compound ID |
CP0371811
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| Compound Name |
8-[2-(4-fluorophenyl)ethynyl]-4-[3-(1,2,4-triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C25H16FN5O
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| Molecular Weight |
421.435
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| Canonical SMILES |
Fc1ccc(cc1)C#Cc1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1cncn1
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| InChI |
InChI=1S/C25H16FN5O/c26-20-9-6-17(7-10-20)4-5-18-8-11-22-24(12-18)30-25(32)14-23(29-22)19-2-1-3-21(13-19)31-16-27-15-28-31/h1-3,6-13,15-16H,14H2,(H,30,32)
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| InChIKey |
JFWHKBOYYMKFMW-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