General Information of the Compound
| Compound ID |
CP0556385
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| Compound Name |
US9090618, H56b(ii)
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| Formula |
C32H46N4O2
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| Molecular Weight |
518.746
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| Canonical SMILES |
OC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2
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| InChI |
InChI=1S/C32H46N4O2/c37-31(38)21-34-15-6-5-14-30(34)32-33-28-12-3-4-13-29(28)36(32)27-19-24-10-7-11-25(20-27)35(24)26-17-22-8-1-2-9-23(16-22)18-26/h3-4,12-13,22-27,30H,1-2,5-11,14-21H2,(H,37,38)/t22-,23+,24-,25+,26-,27+,30-/m1/s1
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| InChIKey |
RPYQPXALUIMCMA-OVZXINRLSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor