General Information of the Compound
| Compound ID |
CP0414437
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| Compound Name |
5-[3-[[4-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1-[4-(trifluoromethyl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
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| Structure |
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| Formula |
C23H28F3N7S
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| Molecular Weight |
491.587
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| Canonical SMILES |
Cn1cc(cn1)-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)n1C
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| InChI |
InChI=1S/C23H28F3N7S/c1-30-13-17(12-27-30)21-28-29-22(31(21)2)34-11-3-9-32-14-16-8-10-33(20(16)15-32)19-6-4-18(5-7-19)23(24,25)26/h4-7,12-13,16,20H,3,8-11,14-15H2,1-2H3
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| InChIKey |
JCZQORKBTOWEKS-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