General Information of the Compound
| Compound ID |
CP0479066
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| Compound Name |
(Z)-2-(11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-1,4-diazepan-1-yl)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
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| Structure |
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| Formula |
C30H34N4O5
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| Molecular Weight |
530.625
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
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| InChI |
InChI=1S/C30H34N4O5/c1-31-27(19-28(35)32(2)30(31)38)34-14-6-13-33(15-16-34)12-5-9-24-23-8-4-3-7-22(23)20-39-26-11-10-21(17-25(24)26)18-29(36)37/h3-4,7-11,17,19H,5-6,12-16,18,20H2,1-2H3,(H,36,37)/b24-9-
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| InChIKey |
ODFDIJBCTCNYMX-OPVMPGTRSA-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