General Information of the Compound
| Compound ID |
CP0372976
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| Compound Name |
CHEMBL78406
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| Formula |
C22H30N4OS
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| Molecular Weight |
398.576
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccn2)CC1)c1cccs1
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| InChI |
InChI=1S/C22H30N4OS/c27-22(20-4-3-17-28-20)24-19-8-6-18(7-9-19)10-12-25-13-15-26(16-14-25)21-5-1-2-11-23-21/h1-5,11,17-19H,6-10,12-16H2,(H,24,27)/t18-,19-
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| InChIKey |
ZSOAASMDFMEZPH-WGSAOQKQSA-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