General Information of the Compound
| Compound ID |
CP0550921
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| Compound Name |
7-(2-chlorophenyl)-12-[4-(1-methylpiperidin-4-yl)anilino]-2,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-8-one
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| Structure |
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| Formula |
C26H24ClN7O
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| Molecular Weight |
485.979
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| Canonical SMILES |
CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1
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| InChI |
InChI=1S/C26H24ClN7O/c1-32-13-10-18(11-14-32)17-6-8-19(9-7-17)30-25-29-16-20-23(31-25)33-15-12-28-26(33)34(24(20)35)22-5-3-2-4-21(22)27/h2-9,12,15-16,18H,10-11,13-14H2,1H3,(H,29,30,31)
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| InChIKey |
HLCFJKUJLMXDCF-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