General Information of the Compound
| Compound ID |
CP0968453
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| Compound Name |
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-(4'-(pyrazolylacetamido)morphinan
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| Structure |
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| Formula |
C25H30N4O4
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| Molecular Weight |
450.539
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| Canonical SMILES |
O=C(Cc1cn[nH]c1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
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| InChI |
InChI=1S/C25H30N4O4/c30-18-4-3-16-10-19-25(32)6-5-17(28-20(31)9-15-11-26-27-12-15)23-24(25,21(16)22(18)33-23)7-8-29(19)13-14-1-2-14/h3-4,11-12,14,17,19,23,30,32H,1-2,5-10,13H2,(H,26,27)(H,28,31)/t17-,19-,23+,24+,25-/m1/s1
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| InChIKey |
AUEZRFRNUHKQBO-VRLWAYGVSA-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: PT02264, Kappa-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor