General Information of the Compound
| Compound ID |
CP0438598
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| Compound Name |
CHEMBL2368259
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| Formula |
C16H23N3O2S
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| Molecular Weight |
321.446
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| Canonical SMILES |
CNS(=O)(=O)Cc1ccc2[nH]cc([C@H]3C[C@@H](C3)N(C)C)c2c1
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| InChI |
InChI=1S/C16H23N3O2S/c1-17-22(20,21)10-11-4-5-16-14(6-11)15(9-18-16)12-7-13(8-12)19(2)3/h4-6,9,12-13,17-18H,7-8,10H2,1-3H3/t12-,13-
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| InChIKey |
KSIPRVBXVOVTDD-JOCQHMNTSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D