General Information of the Compound
| Compound ID |
CP0519422
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| Compound Name |
US9290488, E53a(i)
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| Formula |
C31H42N4O3
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| Molecular Weight |
518.702
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1[C@H](CCN1[C@H]3CCC[C@@H]1C[C@@H](C3)n1c3ccccc3nc(N3CC[C@@H]3C(O)=O)c1=O)CC2
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| InChI |
InChI=1S/C31H42N4O3/c1-31(2)20-11-10-19(24(31)16-20)12-14-33-21-6-5-7-22(33)18-23(17-21)35-26-9-4-3-8-25(26)32-28(29(35)36)34-15-13-27(34)30(37)38/h3-4,8-9,19-24,27H,5-7,10-18H2,1-2H3,(H,37,38)/t19-,20-,21-,22+,23+,24-,27+/m0/s1
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| InChIKey |
OPNHKXQPNQNQOK-DUWFNVGLSA-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