General Information of the Compound
| Compound ID |
CP0516743
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| Compound Name |
US9290488, ZA05
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| Formula |
C32H45N5O3
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| Molecular Weight |
547.744
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| Canonical SMILES |
CN(C)[C@@H]1CN([C@@H]1C(O)=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@@H]3C[C@H](C2)CCCC3)c1=O
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| InChI |
InChI=1S/C32H45N5O3/c1-34(2)28-19-35(29(28)32(39)40)30-31(38)37(27-13-6-5-12-26(27)33-30)25-17-22-10-7-11-23(18-25)36(22)24-15-20-8-3-4-9-21(14-20)16-24/h5-6,12-13,20-25,28-29H,3-4,7-11,14-19H2,1-2H3,(H,39,40)/t20-,21+,22-,23+,24-,25+,28-,29+/m1/s1
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| InChIKey |
DWHVTNXMIARYFX-IGSKVMNOSA-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