General Information of the Compound
| Compound ID |
CP0150494
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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-butan-1-one
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| Structure |
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| Formula |
C38H48N4O
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| Molecular Weight |
576.829
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| Canonical SMILES |
CCC(C)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C38H48N4O/c1-5-38(4,37(43)42-31-10-11-32(42)13-12-31)30-9-14-35-34(25-30)33(36(41-35)29-23-26(2)22-27(3)24-29)17-21-39-18-7-6-8-28-15-19-40-20-16-28/h9,14-16,19-20,22-25,31-32,39,41H,5-8,10-13,17-18,21H2,1-4H3
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| InChIKey |
DFWLMADCELWCJY-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