General Information of the Compound
| Compound ID |
CP0441686
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| Compound Name |
N-[3,8-dichloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C28H29Cl2N5O4
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| Molecular Weight |
570.477
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C28H29Cl2N5O4/c1-33-9-11-34(12-10-33)27-20-15-18(29)5-7-22(20)35(23-8-6-19(30)16-21(23)31-27)32-28(36)17-13-24(37-2)26(39-4)25(14-17)38-3/h5-8,13-16H,9-12H2,1-4H3,(H,32,36)
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| InChIKey |
JFBANURFCNELLB-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