General Information of the Compound
| Compound ID |
CP0310600
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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-ethyl-butan-1-one
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| Structure |
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| Formula |
C39H50N4O
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| Molecular Weight |
590.856
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| Canonical SMILES |
CCC(CC)(C(=O)N1C2CCC1CC2)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C39H50N4O/c1-5-39(6-2,38(44)43-32-11-12-33(43)14-13-32)31-10-15-36-35(26-31)34(37(42-36)30-24-27(3)23-28(4)25-30)18-22-40-19-8-7-9-29-16-20-41-21-17-29/h10,15-17,20-21,23-26,32-33,40,42H,5-9,11-14,18-19,22H2,1-4H3
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| InChIKey |
JZIPIPBPNKZXLP-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