General Information of the Compound
| Compound ID |
CP0453039
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| Compound Name |
3-chloro-N-[(2-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-amine
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| Structure |
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| Formula |
C26H28ClN5O
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| Molecular Weight |
461.997
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| Canonical SMILES |
COc1ccccc1CNN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12
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| InChI |
InChI=1S/C26H28ClN5O/c1-30-13-15-31(16-14-30)26-21-8-4-5-9-23(21)32(24-12-11-20(27)17-22(24)29-26)28-18-19-7-3-6-10-25(19)33-2/h3-12,17,28H,13-16,18H2,1-2H3
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| InChIKey |
METGQDKTGGXZGK-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor