General Information of the Compound
| Compound ID |
CP0331985
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| Compound Name |
2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-1-piperidin-1-yl-propan-1-one
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| Structure |
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| Formula |
C36H46N4O
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| Molecular Weight |
550.791
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1ccncc1)C(C)(C)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C36H46N4O/c1-26-22-27(2)24-29(23-26)34-31(15-19-37-16-7-6-10-28-13-17-38-18-14-28)32-25-30(11-12-33(32)39-34)36(3,4)35(41)40-20-8-5-9-21-40/h11-14,17-18,22-25,37,39H,5-10,15-16,19-21H2,1-4H3
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| InChIKey |
FPPLFRBWLIXLFC-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