General Information of the Compound
| Compound ID |
CP0163117
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| Compound Name |
(7-Aza-bicyclo[2.2.1]hept-7-yl)-(1-{2-(3,5-dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-cyclobutyl)-methanone
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| Structure |
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| Formula |
C38H46N4O
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| Molecular Weight |
574.813
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C1(CCC1)C(=O)N1C2CCC1CC2
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| InChI |
InChI=1S/C38H46N4O/c1-26-22-27(2)24-29(23-26)36-33(15-21-39-18-4-3-6-28-13-19-40-20-14-28)34-25-30(7-12-35(34)41-36)38(16-5-17-38)37(43)42-31-8-9-32(42)11-10-31/h7,12-14,19-20,22-25,31-32,39,41H,3-6,8-11,15-18,21H2,1-2H3
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| InChIKey |
UZMFNKZHBPHLBG-UHFFFAOYSA-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