General Information of the Compound
| Compound ID |
CP0388657
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| Compound Name |
(3S)-3-[2-(2,6-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)propanoic acid
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| Structure |
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| Formula |
C30H32N4O3
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| Molecular Weight |
496.611
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| Canonical SMILES |
CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C30H32N4O3/c1-5-34-26-12-11-24(20(4)29(26)31-32-34)25(16-27(35)36)22-10-9-21-13-14-33(17-23(21)15-22)30(37)28-18(2)7-6-8-19(28)3/h6-12,15,25H,5,13-14,16-17H2,1-4H3,(H,35,36)/t25-/m0/s1
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| InChIKey |
LDIPNBFPOYPTFY-VWLOTQADSA-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