General Information of the Compound
| Compound ID |
CP0449431
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| Compound Name |
2-chloro-N-{8-chloro-11-[4-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-piperazin-1-yl]-dibenzo[b,e][1,4]diazepin-5-yl}-benzamide
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| Structure |
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| Formula |
C33H29Cl2N5O3
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| Molecular Weight |
614.533
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| Canonical SMILES |
Clc1ccc2N(NC(=O)c3ccccc3Cl)c3ccccc3C(=Nc2c1)N1CCN(Cc2ccc3OCCOc3c2)CC1
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| InChI |
InChI=1S/C33H29Cl2N5O3/c34-23-10-11-29-27(20-23)36-32(25-6-2-4-8-28(25)40(29)37-33(41)24-5-1-3-7-26(24)35)39-15-13-38(14-16-39)21-22-9-12-30-31(19-22)43-18-17-42-30/h1-12,19-20H,13-18,21H2,(H,37,41)
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| InChIKey |
AAIIXWICIBRNOC-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