General Information of the Compound
| Compound ID |
CP0414435
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| Compound Name |
1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-[3-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
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| Structure |
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| Formula |
C23H25F4N7S
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| Molecular Weight |
507.561
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| Canonical SMILES |
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2C(F)(F)F)nnc1-c1cnccn1
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| InChI |
InChI=1S/C23H25F4N7S/c1-32-21(18-12-28-6-7-29-18)30-31-22(32)35-10-2-8-33-13-15-5-9-34(20(15)14-33)19-4-3-16(24)11-17(19)23(25,26)27/h3-4,6-7,11-12,15,20H,2,5,8-10,13-14H2,1H3
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| InChIKey |
NNIDXNUKZKKKGS-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