General Information of the Compound
| Compound ID |
CP0105803
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| Compound Name |
1'-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]spiro[2,3-dihydrochromene-4,3'-pyrrolidine]
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| Structure |
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| Formula |
C22H27N5O2S
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| Molecular Weight |
425.558
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| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CCC3(C2)CCOc2ccccc32)n1C
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| InChI |
InChI=1S/C22H27N5O2S/c1-16-19(29-15-23-16)20-24-25-21(26(20)2)30-13-5-10-27-11-8-22(14-27)9-12-28-18-7-4-3-6-17(18)22/h3-4,6-7,15H,5,8-14H2,1-2H3
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| InChIKey |
KYBVEQYZQWILGN-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