General Information of the Compound
| Compound ID |
CP0483103
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| Compound Name |
2-[4-[5-[3-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-1,3-oxazole
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| Structure |
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| Formula |
C31H38N6O2S
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| Molecular Weight |
558.752
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| Canonical SMILES |
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccc(cc4)-c4ncco4)n3C)CC2)CC1
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| InChI |
InChI=1S/C31H38N6O2S/c1-35-28(24-8-10-25(11-9-24)29-32-16-22-39-29)33-34-30(35)40-23-5-17-36-18-12-31(13-19-36)14-20-37(21-15-31)26-6-3-4-7-27(26)38-2/h3-4,6-11,16,22H,5,12-15,17-21,23H2,1-2H3
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| InChIKey |
MSFHSIRZEOQLNY-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