General Information of the Compound
| Compound ID |
CP0380556
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| Compound Name |
CHEMBL3971059
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| Formula |
C27H42N4O2
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| Molecular Weight |
454.659
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| Canonical SMILES |
CC(C)NC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@@H](C2)c1cccc(c1)C(N)=O)CC1CCCCC1
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| InChI |
InChI=1S/C27H42N4O2/c1-19(2)29-27(33)30(18-20-7-4-3-5-8-20)13-14-31-24-11-12-25(31)17-23(16-24)21-9-6-10-22(15-21)26(28)32/h6,9-10,15,19-20,23-25H,3-5,7-8,11-14,16-18H2,1-2H3,(H2,28,32)(H,29,33)/t23-,24+,25-
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| InChIKey |
HQFCOIBMSKWMCF-QEIWAGNOSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor