General Information of the Compound
| Compound ID |
CP0526549
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| Compound Name |
US9090618, ZA56
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| Formula |
C30H44N4O
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| Molecular Weight |
476.709
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| Canonical SMILES |
C([C@@H]1COCCN1)c1nc2ccccc2n1[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/C30H44N4O/c1-2-7-22-14-21(6-1)15-26(16-22)33-24-8-5-9-25(33)19-27(18-24)34-29-11-4-3-10-28(29)32-30(34)17-23-20-35-13-12-31-23/h3-4,10-11,21-27,31H,1-2,5-9,12-20H2/t21-,22+,23-,24-,25+,26-,27+/m1/s1
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| InChIKey |
ZFJWLWOSYSURLC-VIQQYPKZSA-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