General Information of the Compound
| Compound ID |
CP0413164
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| Compound Name |
US9090618, H36b(i)
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| Formula |
C31H45N5O
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| Molecular Weight |
503.735
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| Canonical SMILES |
NC(=O)CN1CCC[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/C31H45N5O/c32-30(37)20-34-14-6-13-29(34)31-33-27-11-3-4-12-28(27)36(31)26-18-23-9-5-10-24(19-26)35(23)25-16-21-7-1-2-8-22(15-21)17-25/h3-4,11-12,21-26,29H,1-2,5-10,13-20H2,(H2,32,37)/t21-,22+,23-,24+,25-,26+,29-/m0/s1
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| InChIKey |
WGMLKJXEFMLZMR-FDYHHLSLSA-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