General Information of the Compound
| Compound ID |
CP0438862
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| Compound Name |
8-[2-(4-fluorophenyl)ethynyl]-7-[2-hydroxyethyl(methyl)amino]-4-(3-imidazol-1-ylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
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| Structure |
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| Formula |
C29H24FN5O2
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| Molecular Weight |
493.542
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| Canonical SMILES |
CN(CCO)c1cc2N=C(CC(=O)Nc2cc1C#Cc1ccc(F)cc1)c1cccc(c1)-n1ccnc1
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| InChI |
InChI=1S/C29H24FN5O2/c1-34(13-14-36)28-17-27-26(16-22(28)8-5-20-6-9-23(30)10-7-20)33-29(37)18-25(32-27)21-3-2-4-24(15-21)35-12-11-31-19-35/h2-4,6-7,9-12,15-17,19,36H,13-14,18H2,1H3,(H,33,37)
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| InChIKey |
CHIPHPDGPBIINM-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