General Information of the Compound
| Compound ID |
CP0446347
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| Compound Name |
[4-[3-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]propyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C26H36N6OS
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| Molecular Weight |
480.682
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| Canonical SMILES |
CCCN(CCCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C26H36N6OS/c1-2-10-31(20-8-9-22-24(18-20)34-26(27)29-22)12-5-11-30-13-15-32(16-14-30)25(33)23-17-19-6-3-4-7-21(19)28-23/h3-4,6-7,17,20,28H,2,5,8-16,18H2,1H3,(H2,27,29)
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| InChIKey |
YXOJSZBNFOORSL-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor