General Information of the Compound
| Compound ID |
CP0424421
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| Compound Name |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R)-17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-16-yl]oxy]oxane-3,4,5-triol
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| Structure |
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| Formula |
C25H29NO9
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| Molecular Weight |
487.505
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C25H29NO9/c1-31-17-3-2-12-6-16-14-8-19-18(32-11-33-19)7-13(14)4-5-26(16)9-15(12)24(17)35-25-23(30)22(29)21(28)20(10-27)34-25/h2-3,7-8,16,20-23,25,27-30H,4-6,9-11H2,1H3/t16-,20-,21-,22+,23-,25+/m1/s1
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| InChIKey |
OCHYIOQLUNYHOD-YWXKLJOMSA-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
Protein ID: PT01039, Tissue factor