General Information of the Compound
| Compound ID |
CP0214050
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| Compound Name |
(7-Aza-bicyclo[2.2.1]hept-7-yl)-{2-(3,5-dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-methanone
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| Structure |
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| Formula |
C34H40N4O
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| Molecular Weight |
520.721
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(=O)N1C2CCC1CC2
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| InChI |
InChI=1S/C34H40N4O/c1-23-19-24(2)21-27(20-23)33-30(14-18-35-15-4-3-5-25-12-16-36-17-13-25)31-22-26(6-11-32(31)37-33)34(39)38-28-7-8-29(38)10-9-28/h6,11-13,16-17,19-22,28-29,35,37H,3-5,7-10,14-15,18H2,1-2H3
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| InChIKey |
CMXZCNYOUKKCCJ-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