General Information of the Compound
| Compound ID |
CP0488819
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| Compound Name |
N-[4-[4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)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 |
C41H47N3O
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| Molecular Weight |
597.847
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| Canonical SMILES |
O=C(NCCCCN1CCN(CC1)c1cc2CCc3ccc(CCc1cc2)cc3)c1cc2CCc3ccc(CCc1cc2)cc3
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| InChI |
InChI=1S/C41H47N3O/c45-41(39-29-35-13-11-31-3-7-33(8-4-31)15-19-37(39)20-17-35)42-23-1-2-24-43-25-27-44(28-26-43)40-30-36-14-12-32-5-9-34(10-6-32)16-21-38(40)22-18-36/h3-10,17-18,20,22,29-30H,1-2,11-16,19,21,23-28H2,(H,42,45)
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| InChIKey |
MAMYYNBMHYGSHM-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