General Information of the Compound
| Compound ID |
CP0898107
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| Compound Name |
17-cyclopropylmethyl-16-methyl-13-methylcarbonyloxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaen-4-yl acetate
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| Structure |
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| Formula |
C25H27NO4
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| Molecular Weight |
405.494
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| Canonical SMILES |
CC(=O)Oc1ccc2c(c1)[C@H]1c3cc(OC(C)=O)ccc3[C@H](C2)N(CC2CC2)[C@@H]1C
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| InChI |
InChI=1S/C25H27NO4/c1-14-25-22-11-19(29-15(2)27)7-6-18(22)10-24(26(14)13-17-4-5-17)21-9-8-20(12-23(21)25)30-16(3)28/h6-9,11-12,14,17,24-25H,4-5,10,13H2,1-3H3/t14-,24+,25+/m1/s1
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| InChIKey |
JWTRGWHZBJWGEL-CPXZRQHMSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor