General Information of the Compound
| Compound ID |
CP0431770
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| Compound Name |
4-chloro-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
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| Structure |
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| Formula |
C21H18ClN3
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| Molecular Weight |
347.849
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ccncc1
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| InChI |
InChI=1S/C21H18ClN3/c1-14-20(18-4-2-3-5-19(18)24-14)21(15-10-12-23-13-11-15)25-17-8-6-16(22)7-9-17/h2-13,21,24-25H,1H3
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| InChIKey |
MRHUTOXNFGNPFA-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