General Information of the Compound
| Compound ID |
CP0477286
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| Compound Name |
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
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| Structure |
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| Formula |
C31H37N3O5
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| Molecular Weight |
531.653
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| Canonical SMILES |
COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCC4(CC3)OCCO4)cc2)C(=O)[C@@H]2CC=CC[C@H]12
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| InChI |
InChI=1S/C31H37N3O5/c1-36-27-12-11-24(19-28(27)37-2)29-25-5-3-4-6-26(25)30(35)34(32-29)21-23-9-7-22(8-10-23)20-33-15-13-31(14-16-33)38-17-18-39-31/h3-4,7-12,19,25-26H,5-6,13-18,20-21H2,1-2H3/t25-,26+/m0/s1
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| InChIKey |
OQGFHEKSYOZJBE-IZZNHLLZSA-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