General Information of the Compound
| Compound ID |
CP0388659
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| Compound Name |
(3S)-3-[(1S)-2-benzoyl-1-methyl-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 |
C29H30N4O3
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| Molecular Weight |
482.584
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| Canonical SMILES |
CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN([C@@H](C)c2c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C29H30N4O3/c1-4-33-26-13-12-23(18(2)28(26)30-31-33)25(17-27(34)35)22-11-10-20-14-15-32(19(3)24(20)16-22)29(36)21-8-6-5-7-9-21/h5-13,16,19,25H,4,14-15,17H2,1-3H3,(H,34,35)/t19-,25-/m0/s1
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| InChIKey |
QCEUMUQHVTVFOH-DFBJGRDBSA-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