General Information of the Compound
| Compound ID |
CP0554558
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| Compound Name |
7-(2-chlorophenyl)-12-(5,6,7,8-tetrahydronaphthalen-2-ylamino)-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 |
C24H19ClN6O
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| Molecular Weight |
442.91
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| Canonical SMILES |
Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc4CCCCc4c3)ncc2c1=O
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| InChI |
InChI=1S/C24H19ClN6O/c25-19-7-3-4-8-20(19)31-22(32)18-14-27-23(29-21(18)30-12-11-26-24(30)31)28-17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-14H,1-2,5-6H2,(H,27,28,29)
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| InChIKey |
VCEWFIVEODTAPW-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