General Information of the Compound
| Compound ID |
CP0558442
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| Compound Name |
14-(4-chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene
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| Formula |
C24H22ClN
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| Molecular Weight |
359.9
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| Canonical SMILES |
Clc1ccc(cc1)C1Nc2ccc3ccccc3c2C2C3CCC(C3)C12
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| InChI |
InChI=1S/C24H22ClN/c25-18-10-7-15(8-11-18)24-22-17-6-5-16(13-17)21(22)23-19-4-2-1-3-14(19)9-12-20(23)26-24/h1-4,7-12,16-17,21-22,24,26H,5-6,13H2
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| InChIKey |
WNHWHMBSPFMPPM-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