General Information of the Compound
| Compound ID |
CP0862931
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| Compound Name |
4N,13N-diphenyl-17-cyclopropylmethyl-16-methyl-(9S,16R)-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 |
C33H33N3
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| Molecular Weight |
471.648
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| Canonical SMILES |
C[C@@H]1[C@H]2c3cc(Nc4ccccc4)ccc3C[C@@H](c3ccc(Nc4ccccc4)cc32)N1CC1CC1
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| InChI |
InChI=1S/C33H33N3/c1-22-33-30-19-27(34-25-8-4-2-5-9-25)15-14-24(30)18-32(36(22)21-23-12-13-23)29-17-16-28(20-31(29)33)35-26-10-6-3-7-11-26/h2-11,14-17,19-20,22-23,32-35H,12-13,18,21H2,1H3/t22-,32+,33+/m1/s1
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| InChIKey |
BHKFVMDOGHDESX-ZVMHSHCWSA-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