General Information of the Compound
| Compound ID |
CP0877515
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| Compound Name |
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-2-amine
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| Structure |
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| Formula |
C21H29Cl2N5S
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| Molecular Weight |
454.471
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| Canonical SMILES |
Nc1nc2c(s1)CCN(CCCCN1CCN(c3cccc(Cl)c3Cl)CC1)CC2
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| InChI |
InChI=1S/C21H29Cl2N5S/c22-16-4-3-5-18(20(16)23)28-14-12-27(13-15-28)9-2-1-8-26-10-6-17-19(7-11-26)29-21(24)25-17/h3-5H,1-2,6-15H2,(H2,24,25)
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| InChIKey |
BYKIDBIDJRZMKJ-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor