General Information of the Compound
| Compound ID |
CP0477173
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| Compound Name |
(1S,2S,10R,18R)-7-amino-19-(cyclopropylmethyl)-5-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4,6,8,12,14,16(22)-hexaene-2,13-diol
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
Cc1nc(N)nc2[C@@H]3Oc4c5c(C[C@H]6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O
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| InChI |
InChI=1S/C23H26N4O3/c1-11-14-9-23(29)16-8-13-4-5-15(28)19-17(13)22(23,6-7-27(16)10-12-2-3-12)20(30-19)18(14)26-21(24)25-11/h4-5,12,16,20,28-29H,2-3,6-10H2,1H3,(H2,24,25,26)/t16-,20+,22+,23-/m1/s1
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| InChIKey |
YTWFOAVUUPHRAG-LNKMKMDRSA-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: PT01515, Mu-type opioid receptor