General Information of the Compound
| Compound ID |
CP0770773
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| Compound Name |
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6beta-(3'-(pyrazolylcarbaxamido)morphinan
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| Structure |
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| Formula |
C24H28N4O4
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| Molecular Weight |
436.512
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| Canonical SMILES |
O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc[nH]n1
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| InChI |
InChI=1S/C24H28N4O4/c29-17-4-3-14-11-18-24(31)7-5-15(26-22(30)16-6-9-25-27-16)21-23(24,19(14)20(17)32-21)8-10-28(18)12-13-1-2-13/h3-4,6,9,13,15,18,21,29,31H,1-2,5,7-8,10-12H2,(H,25,27)(H,26,30)/t15-,18-,21+,23+,24-/m1/s1
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| InChIKey |
HXUXWMTVOADUHS-GLLLEQLPSA-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