General Information of the Compound
| Compound ID |
CP0530033
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| Compound Name |
(1R,2S,6R,7S)-4-[6-[4-(2,3-dichlorophenyl)piperazin-1-yl]hexyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
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| Structure |
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| Formula |
C25H33Cl2N3O2
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| Molecular Weight |
478.464
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCCCN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)CC2)c1Cl
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| InChI |
InChI=1S/C25H33Cl2N3O2/c26-19-6-5-7-20(23(19)27)29-14-12-28(13-15-29)10-3-1-2-4-11-30-24(31)21-17-8-9-18(16-17)22(21)25(30)32/h5-7,17-18,21-22H,1-4,8-16H2/t17-,18+,21+,22-
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| InChIKey |
MIVAZVMVBOSSKJ-MTIDIVMFSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor