General Information of the Compound
| Compound ID |
CP0501554
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| Compound Name |
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
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| Structure |
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| Formula |
C26H31N3O3
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| Molecular Weight |
433.552
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| Canonical SMILES |
COc1ccc(cc1OC)C1=NN(Cc2ccc(CN(C)C)cc2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C26H31N3O3/c1-28(2)16-18-9-11-19(12-10-18)17-29-26(30)22-8-6-5-7-21(22)25(27-29)20-13-14-23(31-3)24(15-20)32-4/h5-6,9-15,21-22H,7-8,16-17H2,1-4H3/t21-,22+/m0/s1
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| InChIKey |
XRMZXWCUVMFYJF-FCHUYYIVSA-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