General Information of the Compound
| Compound ID |
CP0555491
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| Compound Name |
6-cyclohexyl-1-(2,4-dichlorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C33H37Cl2N3O
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| Molecular Weight |
562.585
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| Canonical SMILES |
C[C@]12CCC(C1)C(C)(C)C2NC(=O)c1nn(c-2c1Cc1cc(ccc-21)C1CCCCC1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C33H37Cl2N3O/c1-32(2)22-13-14-33(3,18-22)31(32)36-30(39)28-25-16-21-15-20(19-7-5-4-6-8-19)9-11-24(21)29(25)38(37-28)27-12-10-23(34)17-26(27)35/h9-12,15,17,19,22,31H,4-8,13-14,16,18H2,1-3H3,(H,36,39)/t22?,31?,33-/m0/s1
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| InChIKey |
JQQJYXHLHWEBFQ-MHXTWFNFSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2