General Information of the Compound
| Compound ID |
CP0559208
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| Compound Name |
13-chloro-8-(1-pyridin-2-ylpiperidin-4-yl)-6,7,9-triazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),5,7,11,13-pentaene
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| Formula |
C21H20ClN5
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| Molecular Weight |
377.879
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| Canonical SMILES |
Clc1ccc-2c(c1)C1CC1c1nnc(C3CCN(CC3)c3ccccn3)n-21
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| InChI |
InChI=1S/C21H20ClN5/c22-14-4-5-18-16(11-14)15-12-17(15)21-25-24-20(27(18)21)13-6-9-26(10-7-13)19-3-1-2-8-23-19/h1-5,8,11,13,15,17H,6-7,9-10,12H2
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| InChIKey |
VVELHSVKGJFPBX-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