General Information of the Compound
| Compound ID |
CP0444763
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| Compound Name |
(Z)-5-(4-(azepan-1-ylmethyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C29H29N3O3
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| Molecular Weight |
467.569
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| Canonical SMILES |
O=C1N\C(=C/c2ccc(CN3CCCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C29H29N3O3/c33-28-27(20-22-10-12-23(13-11-22)21-31-18-6-1-2-7-19-31)30-29(34)32(28)24-14-16-26(17-15-24)35-25-8-4-3-5-9-25/h3-5,8-17,20H,1-2,6-7,18-19,21H2,(H,30,34)/b27-20-
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| InChIKey |
NKIPJOUJGLUDSA-OOAXWGSJSA-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