General Information of the Compound
| Compound ID |
CP0448308
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| Compound Name |
3-(2-chlorophenyl)-7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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| Structure |
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| Formula |
C15H10ClN5
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| Molecular Weight |
295.733
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| Canonical SMILES |
Cc1nc2cccnc2n2c(nnc12)-c1ccccc1Cl
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| InChI |
InChI=1S/C15H10ClN5/c1-9-13-19-20-14(10-5-2-3-6-11(10)16)21(13)15-12(18-9)7-4-8-17-15/h2-8H,1H3
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| InChIKey |
DKNLSEAXHKQSJI-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