General Information of the Compound
| Compound ID |
CP0399508
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| Compound Name |
7-(2,5-dimethylpyrazol-3-yl)-3-[2-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine
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| Structure |
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| Formula |
C30H33N7S
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| Molecular Weight |
523.71
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| Canonical SMILES |
Cc1cc(-c2ccc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c2)n(C)n1
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| InChI |
InChI=1S/C30H33N7S/c1-20-8-11-25-26(6-5-7-27(25)31-20)29-32-33-30(35(29)3)38-17-16-37-14-12-22-9-10-24(19-23(22)13-15-37)28-18-21(2)34-36(28)4/h5-11,18-19H,12-17H2,1-4H3
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| InChIKey |
RWYXCRGPSKEBSD-UHFFFAOYSA-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2