General Information of the Compound
| Compound ID |
CP0236982
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| Compound Name |
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
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| Structure |
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| Formula |
C37H46N4O
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| Molecular Weight |
562.802
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(C)(C)C(=O)N1C2CCC1CC2
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| InChI |
InChI=1S/C37H46N4O/c1-25-21-26(2)23-28(22-25)35-32(16-20-38-17-6-5-7-27-14-18-39-19-15-27)33-24-29(8-13-34(33)40-35)37(3,4)36(42)41-30-9-10-31(41)12-11-30/h8,13-15,18-19,21-24,30-31,38,40H,5-7,9-12,16-17,20H2,1-4H3
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| InChIKey |
YILJSJKPTKZLAS-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