General Information of the Compound
| Compound ID |
CP0445971
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| Compound Name |
3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-1,5-dimethylpyrimido[5,4-b]indole-2,4-dione
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| Structure |
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| Formula |
C24H25Cl2N5O2
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| Molecular Weight |
486.403
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| Canonical SMILES |
Cn1c2ccccc2c2n(C)c(=O)n(CCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)c(=O)c12
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| InChI |
InChI=1S/C24H25Cl2N5O2/c1-27-20-6-4-3-5-17(20)21-22(27)23(32)31(24(33)28(21)2)14-11-29-9-12-30(13-10-29)16-7-8-18(25)19(26)15-16/h3-8,15H,9-14H2,1-2H3
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| InChIKey |
ZOJCSVHWXFCTBG-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