General Information of the Compound
| Compound ID |
CP0437747
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| Compound Name |
(4-benzyl-1,4-diazepan-1-yl)-quinolin-2-ylmethanone
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| Structure |
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| Formula |
C22H23N3O
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| Molecular Weight |
345.446
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| Canonical SMILES |
O=C(N1CCCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C22H23N3O/c26-22(21-12-11-19-9-4-5-10-20(19)23-21)25-14-6-13-24(15-16-25)17-18-7-2-1-3-8-18/h1-5,7-12H,6,13-17H2
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| InChIKey |
SVXSDANQUOGVHF-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