General Information of the Compound
| Compound ID |
CP0865565
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| Compound Name |
7-(Benzo[b]thiophen-3-yl)-1-methyl-4-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
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| Structure |
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| Formula |
C24H23N3S
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| Molecular Weight |
385.536
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| Canonical SMILES |
CN1CCN(Cc2cccnc2)Cc2cc(-c3csc4ccccc34)ccc21
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| InChI |
InChI=1S/C24H23N3S/c1-26-11-12-27(15-18-5-4-10-25-14-18)16-20-13-19(8-9-23(20)26)22-17-28-24-7-3-2-6-21(22)24/h2-10,13-14,17H,11-12,15-16H2,1H3
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| InChIKey |
CZFYGARVESPNQP-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