General Information of the Compound
| Compound ID |
CP0576115
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| Compound Name |
9'-(6-fluoropyridin-3-yl)-5'-methylspiro[cyclobutane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
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| Structure |
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| Formula |
C21H18FN3O
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| Molecular Weight |
347.393
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| Canonical SMILES |
CN1C(=O)c2cccn2-c2cc(ccc2C11CCC1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C21H18FN3O/c1-24-20(26)17-4-2-11-25(17)18-12-14(15-6-8-19(22)23-13-15)5-7-16(18)21(24)9-3-10-21/h2,4-8,11-13H,3,9-10H2,1H3
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| InChIKey |
WERHTMTXZBXBTB-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