General Information of the Compound
| Compound ID |
CP0865937
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| Compound Name |
L2
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| Structure |
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| Formula |
C64H76ClN7O12
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| Molecular Weight |
1170.802
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| Canonical SMILES |
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc2cccc4c6c([nH]c24)[C@@H]2Oc4c(OCCc7ccccc7)ccc7c4[C@@]24CCN(CC2CC2)[C@H](C7)[C@]4(O)C6)CC[C@@]3(O)[C@H]1C5.Cl
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| InChI |
InChI=1S/C64H75N7O12.ClH/c1-70-26-22-61-53-39-15-17-45(72)57(53)82-59(61)44(19-21-63(61,77)47(70)29-39)68-52(76)36-80-34-50(74)66-25-7-3-6-24-65-49(73)33-79-35-51(75)67-43-12-8-11-41-42-31-64(78)48-30-40-16-18-46(81-28-20-37-9-4-2-5-10-37)58-54(40)62(64,23-27-71(48)32-38-13-14-38)60(83-58)56(42)69-55(41)43;/h2,4-5,8-12,15-18,38,44,47-48,59-60,69,72,77-78H,3,6-7,13-14,19-36H2,1H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76);1H/t44-,47+,48+,59-,60-,61-,62-,63+,64+;/m0./s1
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| InChIKey |
UWJBWPTZMWPJLO-AQCFVGFZSA-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: PT01791, Delta-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor