General Information of the Compound
| Compound ID |
CP0842136
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| Compound Name |
4N,13N-dibenzyl-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaene-4,13-diamine
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| Structure |
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| Formula |
C32H33N3
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| Molecular Weight |
459.637
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| Canonical SMILES |
C[C@@H]1[C@H]2c3cc(NCc4ccccc4)ccc3C[C@@H](c3ccc(NCc4ccccc4)cc32)N1C
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| InChI |
InChI=1S/C32H33N3/c1-22-32-29-18-26(33-20-23-9-5-3-6-10-23)14-13-25(29)17-31(35(22)2)28-16-15-27(19-30(28)32)34-21-24-11-7-4-8-12-24/h3-16,18-19,22,31-34H,17,20-21H2,1-2H3/t22-,31+,32+/m1/s1
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| InChIKey |
DRHSPIUHBMADFT-PDXWSVEKSA-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
Protein ID: PT01515, Mu-type opioid receptor