General Information of the Compound
| Compound ID |
CP0510432
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| Compound Name |
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
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| Structure |
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| Formula |
C28H35N3O4
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| Molecular Weight |
477.605
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| Canonical SMILES |
COc1ccc(cc1OC)C1=NN(Cc2ccccc2CN2CCOCC2)C(=O)[C@@H]2CCCC[C@H]12
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| InChI |
InChI=1S/C28H35N3O4/c1-33-25-12-11-20(17-26(25)34-2)27-23-9-5-6-10-24(23)28(32)31(29-27)19-22-8-4-3-7-21(22)18-30-13-15-35-16-14-30/h3-4,7-8,11-12,17,23-24H,5-6,9-10,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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| InChIKey |
AEUMWBGWKJJBGE-BJKOFHAPSA-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