General Information of the Compound
| Compound ID |
CP0440408
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| Compound Name |
5-methyl-3-[3-[3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2-oxazole
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| Structure |
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| Formula |
C23H31N5OS
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| Molecular Weight |
425.602
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| Canonical SMILES |
CC(C)c1nnc(SCCCN2CCc3ccc(cc3CC2)-c2cc(C)on2)n1C
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| InChI |
InChI=1S/C23H31N5OS/c1-16(2)22-24-25-23(27(22)4)30-13-5-10-28-11-8-18-6-7-20(15-19(18)9-12-28)21-14-17(3)29-26-21/h6-7,14-16H,5,8-13H2,1-4H3
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| InChIKey |
XOPUTZJGNOKLDY-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