General Information of the Compound
| Compound ID |
CP0513552
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| Compound Name |
(3S,3aR)-2-(4-Cyano-3-methylphenyl)-3-cyclopentyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole-7-carboxylic Acid
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| Structure |
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| Formula |
C24H23N3O3
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| Molecular Weight |
401.466
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| Canonical SMILES |
Cc1cc(ccc1C#N)N1N=C2[C@H](OCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1
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| InChI |
InChI=1S/C24H23N3O3/c1-14-10-19(8-6-17(14)12-25)27-22(15-4-2-3-5-15)23-21(26-27)20-9-7-16(24(28)29)11-18(20)13-30-23/h6-11,15,22-23H,2-5,13H2,1H3,(H,28,29)/t22-,23-/m0/s1
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| InChIKey |
SSZMAARPGXYFMA-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