General Information of the Compound
| Compound ID |
CP0558616
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| Compound Name |
2-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)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)-n1cccn1
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| InChI |
InChI=1S/C24H25N3O3/c1-16-11-19-14-26(22-7-10-30-15-23(22)28)24(29)21(19)13-18(16)12-17-3-5-20(6-4-17)27-9-2-8-25-27/h2-6,8-9,11,13,22-23,28H,7,10,12,14-15H2,1H3/t22-,23-/m0/s1
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| InChIKey |
OCOSTHHYKKROPE-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