General Information of the Compound
| Compound ID |
CP0403966
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| Compound Name |
8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]-ethylamino}-6-methyl-6H-1,6,7,9a-tetraaza-fluoren-5-one
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| Structure |
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| Formula |
C22H23Cl2N7O
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| Molecular Weight |
472.38
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| Canonical SMILES |
Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
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| InChI |
InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)
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| InChIKey |
RORFUFVFDXKMOM-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor