General Information of the Compound
| Compound ID |
CP0455841
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| Compound Name |
5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol
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| Structure |
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| Formula |
C18H17NO3
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| Molecular Weight |
295.338
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| Canonical SMILES |
Oc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1
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| InChI |
InChI=1S/C18H17NO3/c20-14-2-1-11-6-16-15-8-18-17(21-10-22-18)7-12(15)3-4-19(16)9-13(11)5-14/h1-2,5,7-8,16,20H,3-4,6,9-10H2
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| InChIKey |
UXTXSJBQPGSGMT-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor