General Information of the Compound
| Compound ID |
CP0905112
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| Compound Name |
(4-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)-1,4-diazepan-1-yl)(3-fluorophenyl)methanone
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| Structure |
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| Formula |
C32H28ClFN4O
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| Molecular Weight |
539.054
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| Canonical SMILES |
O=C(c1cccc(F)c1)N1CCCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
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| InChI |
InChI=1S/C32H28ClFN4O/c33-27-13-10-24(11-14-27)31-29(38-21-26(12-15-30(38)35-31)23-6-2-1-3-7-23)22-36-16-5-17-37(19-18-36)32(39)25-8-4-9-28(34)20-25/h1-4,6-15,20-21H,5,16-19,22H2
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| InChIKey |
VTNVDNJJEPDLRZ-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