General Information of the Compound
| Compound ID |
CP0573832
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| Compound Name |
2-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-3H-isoindol-1-one
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| Structure |
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| Formula |
C24H25N3O3
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| Molecular Weight |
403.482
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| Canonical SMILES |
Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-n1ccnc1
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| InChI |
InChI=1S/C24H25N3O3/c1-16-10-19-13-27(22-6-9-30-14-23(22)28)24(29)21(19)12-18(16)11-17-2-4-20(5-3-17)26-8-7-25-15-26/h2-5,7-8,10,12,15,22-23,28H,6,9,11,13-14H2,1H3/t22-,23-/m0/s1
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| InChIKey |
BIYOPGCIPREALP-GOTSBHOMSA-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