General Information of the Compound
| Compound ID |
CP0399312
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| Compound Name |
(+/-)-(3RS,3aSR)-2-(3-(Benzyloxy)-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic Acid
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| Structure |
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| Formula |
C31H29N3O3
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| Molecular Weight |
491.591
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| Canonical SMILES |
OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(OCc2ccccc2)c1
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| InChI |
InChI=1S/C31H29N3O3/c32-18-24-10-13-25(17-28(24)37-19-20-6-2-1-3-7-20)34-30(21-8-4-5-9-21)27-15-11-22-16-23(31(35)36)12-14-26(22)29(27)33-34/h1-3,6-7,10,12-14,16-17,21,27,30H,4-5,8-9,11,15,19H2,(H,35,36)/t27-,30-/m0/s1
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| InChIKey |
LZANSTWSRRTTES-FIBWVYCGSA-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