General Information of the Compound
| Compound ID |
CP0505673
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| Compound Name |
N-[6-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-3-chlorobenzo[b][1,4]benzodiazepin-11-yl]-2-chlorobenzamide
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| Structure |
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| Formula |
C32H27Cl2N5O3
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| Molecular Weight |
600.506
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| Canonical SMILES |
Clc1ccc2N(NC(=O)c3ccccc3Cl)c3ccccc3C(=Nc2c1)N1CCN(Cc2cccc3OCOc23)CC1
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| InChI |
InChI=1S/C32H27Cl2N5O3/c33-22-12-13-28-26(18-22)35-31(38-16-14-37(15-17-38)19-21-6-5-11-29-30(21)42-20-41-29)24-8-2-4-10-27(24)39(28)36-32(40)23-7-1-3-9-25(23)34/h1-13,18H,14-17,19-20H2,(H,36,40)
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| InChIKey |
YVMPAPDNKUMXOU-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