General Information of the Compound
| Compound ID |
CP0330418
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| Compound Name |
Benzyl-{(3S,4R)-3-fluoro-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-methyl-amine
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| Structure |
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| Formula |
C26H31FN6
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| Molecular Weight |
446.574
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| Canonical SMILES |
CN(Cc1ccccc1)[C@@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@@H]1F
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| InChI |
InChI=1S/C26H31FN6/c1-31(16-20-6-3-2-4-7-20)26-11-13-32(17-24(26)27)12-5-8-21-15-28-25-10-9-22(14-23(21)25)33-18-29-30-19-33/h2-4,6-7,9-10,14-15,18-19,24,26,28H,5,8,11-13,16-17H2,1H3/t24-,26+/m0/s1
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| InChIKey |
UDCHGILOZYGNHW-AZGAKELHSA-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