General Information of the Compound
| Compound ID |
CP0393819
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| Compound Name |
N-[8-chloro-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 |
C28H30ClN5O4
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| Molecular Weight |
536.032
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C28H30ClN5O4/c1-32-11-13-33(14-12-32)27-20-17-19(29)9-10-22(20)34(23-8-6-5-7-21(23)30-27)31-28(35)18-15-24(36-2)26(38-4)25(16-18)37-3/h5-10,15-17H,11-14H2,1-4H3,(H,31,35)
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| InChIKey |
GBUIXGKLAPQZFJ-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