General Information of the Compound
| Compound ID |
CP0409091
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| Compound Name |
5'-N-Biguanidino-17-cyclopropylmethyl-6,7-didehydro-4,5alpha-epoxy-3,14-dihydroxyindolo[2',3':6,7]morphinan
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| Structure |
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| Formula |
C28H31N7O3
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| Molecular Weight |
513.602
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| Canonical SMILES |
NC(=N)N=C(N)Nc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O
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| InChI |
InChI=1S/C28H31N7O3/c29-25(30)34-26(31)32-15-4-5-18-16(10-15)17-11-28(37)20-9-14-3-6-19(36)23-21(14)27(28,24(38-23)22(17)33-18)7-8-35(20)12-13-1-2-13/h3-6,10,13,20,24,33,36-37H,1-2,7-9,11-12H2,(H6,29,30,31,32,34)/t20?,24-,27-,28+/m0/s1
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| InChIKey |
KAQDWUGWKGESIN-QNXFKXKFSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor