General Information of the Compound
| Compound ID |
CP0433429
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
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| Structure |
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| Formula |
C31H35Cl2N3O
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| Molecular Weight |
536.547
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1Cl
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| InChI |
InChI=1S/C31H35Cl2N3O/c32-28-4-3-5-29(30(28)33)36-20-18-35(19-21-36)17-2-1-16-34-31(37)27-22-25-11-10-23-6-8-24(9-7-23)12-14-26(27)15-13-25/h3-9,13,15,22H,1-2,10-12,14,16-21H2,(H,34,37)
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| InChIKey |
ACKGCCXJFAZCFF-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
Protein ID: PT01161, D(4) dopamine receptor