General Information of the Compound
| Compound ID |
CP0250434
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| Compound Name |
N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-4-nitroaniline
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| Structure |
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| Formula |
C22H18ClN3O2
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| Molecular Weight |
391.858
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1C(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1Cl
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| InChI |
InChI=1S/C22H18ClN3O2/c1-14-21(18-7-3-5-9-20(18)24-14)22(17-6-2-4-8-19(17)23)25-15-10-12-16(13-11-15)26(27)28/h2-13,22,24-25H,1H3
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| InChIKey |
ACNLXCIXYZWHOW-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