General Information of the Compound
| Compound ID |
CP0381126
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| Compound Name |
3-[4-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]piperazin-1-yl]phenyl]phenol
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| Structure |
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| Formula |
C28H37N5OS
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| Molecular Weight |
491.705
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1cccc(O)c1)[C@H]1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C28H37N5OS/c1-2-12-32(24-10-11-26-27(20-24)35-28(29)30-26)16-13-31-14-17-33(18-15-31)23-8-6-21(7-9-23)22-4-3-5-25(34)19-22/h3-9,19,24,34H,2,10-18,20H2,1H3,(H2,29,30)/t24-/m0/s1
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| InChIKey |
VITUDJAVASFPKN-DEOSSOPVSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor