General Information of the Compound
| Compound ID |
CP0464584
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| Compound Name |
N-[3,8-dichloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-methoxybenzamide
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| Structure |
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| Formula |
C26H25Cl2N5O2
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| Molecular Weight |
510.425
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| Canonical SMILES |
COc1cccc(c1)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C26H25Cl2N5O2/c1-31-10-12-32(13-11-31)25-21-15-18(27)6-8-23(21)33(24-9-7-19(28)16-22(24)29-25)30-26(34)17-4-3-5-20(14-17)35-2/h3-9,14-16H,10-13H2,1-2H3,(H,30,34)
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| InChIKey |
RVACPGPYDAFYTB-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