General Information of the Compound
| Compound ID |
CP0500380
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| Compound Name |
US9090618, H56d(ii)
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| Formula |
C32H46N4O2
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| Molecular Weight |
518.746
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| Canonical SMILES |
OC(=O)CN1CCC[C@@H](C1)c1nc2ccccc2n1[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)21-34-14-6-9-24(20-34)32-33-29-12-3-4-13-30(29)36(32)28-18-25-10-5-11-26(19-28)35(25)27-16-22-7-1-2-8-23(15-22)17-27/h3-4,12-13,22-28H,1-2,5-11,14-21H2,(H,37,38)/t22-,23+,24-,25-,26+,27-,28+/m0/s1
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| InChIKey |
FNNTUUAZDHJXRL-JBFJIUAJSA-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