General Information of the Compound
| Compound ID |
CP0212787
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| Compound Name |
3-(2-azidoethyl)-5-chloro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C24H27ClN6O
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| Molecular Weight |
450.974
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| Canonical SMILES |
Clc1ccc2[nH]c(C(=O)NCCc3ccc(cc3)N3CCCCC3)c(CCN=[N+]=[N-])c2c1
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| InChI |
InChI=1S/C24H27ClN6O/c25-18-6-9-22-21(16-18)20(11-13-28-30-26)23(29-22)24(32)27-12-10-17-4-7-19(8-5-17)31-14-2-1-3-15-31/h4-9,16,29H,1-3,10-15H2,(H,27,32)
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| InChIKey |
JJHMNMIZOHGQLG-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