General Information of the Compound
| Compound ID |
CP0378305
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| Compound Name |
(1R,13S,14R)-24-(cyclopropylmethyl)-20-methoxy-4,24-diazahexacyclo[12.7.3.0^{1,13}.0^{3,11}.0^{5,10}.0^{16,21}]tetracosa-3(11),5(10),6,8,16,18,20-heptaene-13,19-diol
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| Structure |
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| Formula |
C27H30N2O3
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| Molecular Weight |
430.548
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| Canonical SMILES |
COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
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| InChI |
InChI=1S/C27H30N2O3/c1-32-25-22(30)9-8-17-12-23-27(31)13-19-18-4-2-3-5-20(18)28-21(19)14-26(27,24(17)25)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,23,28,30-31H,6-7,10-15H2,1H3/t23-,26-,27-/m1/s1
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| InChIKey |
DCARXLWLPRTJDD-XSBVVTFOSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor