General Information of the Compound
| Compound ID |
CP0445267
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| Compound Name |
[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]piperazin-1-yl]-(5-hydroxy-1H-indol-3-yl)methanone
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| Structure |
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| Formula |
C25H34N6O2S
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| Molecular Weight |
482.654
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)C(=O)c1c[nH]c2ccc(O)cc12)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C25H34N6O2S/c1-2-7-30(17-3-5-22-23(14-17)34-25(26)28-22)11-8-29-9-12-31(13-10-29)24(33)20-16-27-21-6-4-18(32)15-19(20)21/h4,6,15-17,27,32H,2-3,5,7-14H2,1H3,(H2,26,28)
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| InChIKey |
WKYPBWJCTXFZPX-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