General Information of the Compound
| Compound ID |
CP0486823
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| Compound Name |
(5Z)-5-{3-[4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-1,4-diazepan-1-yl]propylidene}-10,11-dihydro-5H-dibenzo[a,d][7]annulene-3-carboxylic acid
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| Structure |
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| Formula |
C30H34N4O4
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| Molecular Weight |
514.626
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| Canonical SMILES |
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3CCc3ccc(cc23)C(O)=O)CC1
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| InChI |
InChI=1S/C30H34N4O4/c1-31-27(20-28(35)32(2)30(31)38)34-16-6-15-33(17-18-34)14-5-9-25-24-8-4-3-7-21(24)10-11-22-12-13-23(29(36)37)19-26(22)25/h3-4,7-9,12-13,19-20H,5-6,10-11,14-18H2,1-2H3,(H,36,37)/b25-9-
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| InChIKey |
SPYSLLTXIWIQNL-MWYAZZEHSA-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