General Information of the Compound
| Compound ID |
CP0576950
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| Compound Name |
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(1-methylindazol-3-yl)methanone
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| Structure |
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| Formula |
C25H30Cl2N6O
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| Molecular Weight |
501.462
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| Canonical SMILES |
Cn1nc(C(=O)N2CCN(CCN3CCN(CC3)c3cccc(Cl)c3Cl)CC2)c2ccccc12
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| InChI |
InChI=1S/C25H30Cl2N6O/c1-29-21-7-3-2-5-19(21)24(28-29)25(34)33-17-13-31(14-18-33)10-9-30-11-15-32(16-12-30)22-8-4-6-20(26)23(22)27/h2-8H,9-18H2,1H3
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| InChIKey |
KPALBYLTRZDOII-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor