General Information of the Compound
| Compound ID |
CP0489377
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| Compound Name |
(+/-)-(3RS,3aSR)-Methyl 2-(3-(Benzyloxy)-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylate
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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 |
OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(O)c1
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| InChI |
InChI=1S/C24H23N3O3/c25-13-17-5-8-18(12-21(17)28)27-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)26-27/h5,7-9,11-12,14,20,23,28H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1
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| InChIKey |
GDQATWUMTKAJFP-REWPJTCUSA-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