General Information of the Compound
| Compound ID |
CP0894633
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| Compound Name |
17-cyclopropylmethyl-16-methyl-4,13-di(4-methylhexahydro-1-pyrazinyl)-(16R)-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaene
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| Structure |
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| Formula |
C31H43N5
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| Molecular Weight |
485.72
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| Canonical SMILES |
C[C@@H]1[C@H]2c3cc(N4CCN(C)CC4)ccc3C[C@@H](c3ccc(N4CCN(C)CC4)cc32)N1CC1CC1
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| InChI |
InChI=1S/C31H43N5/c1-22-31-28-19-25(34-14-10-32(2)11-15-34)7-6-24(28)18-30(36(22)21-23-4-5-23)27-9-8-26(20-29(27)31)35-16-12-33(3)13-17-35/h6-9,19-20,22-23,30-31H,4-5,10-18,21H2,1-3H3/t22-,30+,31+/m1/s1
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| InChIKey |
IXLMHBQYLIJKQI-OJXBSAKDSA-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