General Information of the Compound
| Compound ID |
CP0951061
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| Compound Name |
17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-epoxy-6alpha-[(3'-pyrazolyl-3''-yl)propanamido]morphinan
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| Structure |
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| Formula |
C26H32N4O4
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| Molecular Weight |
464.566
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| Canonical SMILES |
O=C(CCc1cc[nH]n1)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/C26H32N4O4/c31-19-5-3-16-13-20-26(33)9-7-18(28-21(32)6-4-17-8-11-27-29-17)24-25(26,22(16)23(19)34-24)10-12-30(20)14-15-1-2-15/h3,5,8,11,15,18,20,24,31,33H,1-2,4,6-7,9-10,12-14H2,(H,27,29)(H,28,32)/t18-,20+,24-,25-,26+/m0/s1
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| InChIKey |
ARLXUWULUMAUCN-MFYLVTQTSA-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