General Information of the Compound
| Compound ID |
CP0463773
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| Compound Name |
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[(E)-4-imidazol-1-ylbut-2-enyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
COc1ccc(cc1OC)C1=NN(C\C=C\Cn2ccnc2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C23H26N4O3/c1-29-20-10-9-17(15-21(20)30-2)22-18-7-3-4-8-19(18)23(28)27(25-22)13-6-5-12-26-14-11-24-16-26/h3-6,9-11,14-16,18-19H,7-8,12-13H2,1-2H3/b6-5+/t18-,19+/m0/s1
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| InChIKey |
IGHBBDMZIFZXDF-OBNUAKFSSA-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