General Information of the Compound
| Compound ID |
CP0254559
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| Compound Name |
2-(3-(7-hydroxy-2-methyl-4,5-dihydro-2H-benzo[g]indazol-3-yl)propanamido)benzoic acid
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| Structure |
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| Formula |
C22H21N3O4
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| Molecular Weight |
391.427
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| Canonical SMILES |
Cn1nc-2c(CCc3cc(O)ccc-23)c1CCC(=O)Nc1ccccc1C(O)=O
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| InChI |
InChI=1S/C22H21N3O4/c1-25-19(10-11-20(27)23-18-5-3-2-4-16(18)22(28)29)17-8-6-13-12-14(26)7-9-15(13)21(17)24-25/h2-5,7,9,12,26H,6,8,10-11H2,1H3,(H,23,27)(H,28,29)
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| InChIKey |
VRGDFIQDEBFXNC-UHFFFAOYSA-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