General Information of the Compound
| Compound ID |
CP0900036
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| Compound Name |
4,13-dibromo-17-cyclopropylmethyl-16-methyl-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 |
C21H21Br2N
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| Molecular Weight |
447.214
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| Canonical SMILES |
C[C@@H]1[C@H]2c3cc(Br)ccc3C[C@@H](c3ccc(Br)cc32)N1CC1CC1
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| InChI |
InChI=1S/C21H21Br2N/c1-12-21-18-9-15(22)5-4-14(18)8-20(24(12)11-13-2-3-13)17-7-6-16(23)10-19(17)21/h4-7,9-10,12-13,20-21H,2-3,8,11H2,1H3/t12-,20+,21+/m1/s1
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| InChIKey |
YQAHMJCKKJBDCR-NSZCRDCNSA-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