General Information of the Compound
| Compound ID |
CP0921999
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| Compound Name |
cis-(+)-4-(3,4-Dimethoxyphenyl)-2-[4-(morpholinomethyl)benzyl]-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
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| Structure |
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| Formula |
C28H34ClN3O4
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| Molecular Weight |
512.05
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| Canonical SMILES |
COc1ccc(C2=NN(Cc3ccc(CN4CCOCC4)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC.Cl
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| InChI |
InChI=1S/C28H33N3O4.ClH/c1-33-25-12-11-22(17-26(25)34-2)27-23-5-3-4-6-24(23)28(32)31(29-27)19-21-9-7-20(8-10-21)18-30-13-15-35-16-14-30;/h3-4,7-12,17,23-24H,5-6,13-16,18-19H2,1-2H3;1H/t23-,24+;/m0./s1
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| InChIKey |
WDWRDERIERMNKE-KZDWWKKTSA-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