General Information of the Compound
| Compound ID |
CP0548390
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| Compound Name |
10'-(6-fluoropyridin-3-yl)-3'-methoxy-6'-methylspiro[cyclopropane-1,7'-pyrido[2,3-d][2]benzazepine]-5'-one
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| Structure |
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| Formula |
C22H18FN3O2
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| Molecular Weight |
375.403
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| Canonical SMILES |
COc1ccc2-c3cc(ccc3C3(CC3)N(C)C(=O)c2n1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C22H18FN3O2/c1-26-21(27)20-15(5-8-19(25-20)28-2)16-11-13(14-4-7-18(23)24-12-14)3-6-17(16)22(26)9-10-22/h3-8,11-12H,9-10H2,1-2H3
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| InChIKey |
SDOAZYAZKGQRRD-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