General Information of the Compound
| Compound ID |
CP0391010
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| Compound Name |
2-ethoxy-naphthalene-1-carboxylic acid [8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-amide
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| Structure |
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| Formula |
C31H30ClN5O2
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| Molecular Weight |
540.067
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| Canonical SMILES |
CCOc1ccc2ccccc2c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12
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| InChI |
InChI=1S/C31H30ClN5O2/c1-3-39-28-15-12-21-8-4-5-9-23(21)29(28)31(38)34-37-26-11-7-6-10-24(26)30(36-18-16-35(2)17-19-36)33-25-20-22(32)13-14-27(25)37/h4-15,20H,3,16-19H2,1-2H3,(H,34,38)
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| InChIKey |
GBAMNIHBRPISDN-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