General Information of the Compound
| Compound ID |
CP0445197
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| Compound Name |
US9290488, L2b(ii)
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| Formula |
C30H40N4O3
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| Molecular Weight |
504.675
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| Canonical SMILES |
OC(=O)[C@@H]1CCN1c1nc2ccccc2n([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/C30H40N4O3/c35-29-28(32-13-12-27(32)30(36)37)31-25-10-3-4-11-26(25)34(29)24-17-21-8-5-9-22(18-24)33(21)23-15-19-6-1-2-7-20(14-19)16-23/h3-4,10-11,19-24,27H,1-2,5-9,12-18H2,(H,36,37)/t19-,20+,21-,22+,23-,24+,27-/m0/s1
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| InChIKey |
ZELGCSSWSLNFRN-AMQYXGMJSA-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