General Information of the Compound
| Compound ID |
CP0040453
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| Compound Name |
CAS_3277600
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| Synonyms |
SB 204741
SB-204,741
SB-204741
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| Structure |
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| Formula |
C14H14N4OS
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| Molecular Weight |
286.36
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| Canonical SMILES |
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
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| InChI |
InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)
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| InChIKey |
USFUFHFQWXDVMH-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: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT02507, 5-hydroxytryptamine receptor 1E
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00943, D(3) dopamine receptor
Clinical Information about the Compound