General Information of the Compound
| Compound ID |
CP0479195
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| Compound Name |
US9090618, ZA33
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| Structure |
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| Formula |
C27H40N4O2
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| Molecular Weight |
452.643
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| Canonical SMILES |
OC(=O)CNc1nc2ccccc2n1C1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1
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| InChI |
InChI=1S/C27H40N4O2/c32-26(33)19-28-27-29-24-15-8-9-16-25(24)31(27)23-17-21-13-10-14-22(18-23)30(21)20-11-6-4-2-1-3-5-7-12-20/h8-9,15-16,20-23H,1-7,10-14,17-19H2,(H,28,29)(H,32,33)/t21-,22+,23?
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| InChIKey |
WNSMOIVNUPXGGF-AIZNXBIQSA-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