General Information of the Compound
| Compound ID |
CP0409271
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| Compound Name |
3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
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| Structure |
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| Formula |
C23H23Cl2N5O
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| Molecular Weight |
456.377
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| Canonical SMILES |
Cc1nc2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H23Cl2N5O/c1-15-26-21-17-4-2-3-5-20(17)27-22(21)23(31)30(15)13-10-28-8-11-29(12-9-28)16-6-7-18(24)19(25)14-16/h2-7,14,27H,8-13H2,1H3
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| InChIKey |
IZXNMSMOJJZRBE-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