General Information of the Compound
| Compound ID |
CP0305800
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| Compound Name |
benzimidazole analogue, 7h
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| Formula |
C23H34ClN5OS
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| Molecular Weight |
464.079
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| Canonical SMILES |
CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl
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| InChI |
InChI=1S/C23H34ClN5OS/c1-5-28-10-12-29(13-11-28)21-15-20-19(14-18(21)24)25-22(26-20)31-23(3)8-6-17(7-9-23)27(4)16(2)30/h14-15,17H,5-13H2,1-4H3,(H,25,26)/t17-,23-
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| InChIKey |
XDEIWEDXCSPRJV-QBNMFFNISA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2