General Information of the Compound
| Compound ID |
CP0374818
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| Compound Name |
2-chloro-N-[8-chloro-11-(4-cyclohexylmethyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-benzamide
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| Structure |
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| Formula |
C31H33Cl2N5O
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| Molecular Weight |
562.545
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| Canonical SMILES |
Clc1ccc2N(NC(=O)c3ccccc3Cl)c3ccccc3C(=Nc2c1)N1CCN(CC2CCCCC2)CC1
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| InChI |
InChI=1S/C31H33Cl2N5O/c32-23-14-15-29-27(20-23)34-30(37-18-16-36(17-19-37)21-22-8-2-1-3-9-22)25-11-5-7-13-28(25)38(29)35-31(39)24-10-4-6-12-26(24)33/h4-7,10-15,20,22H,1-3,8-9,16-19,21H2,(H,35,39)
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| InChIKey |
AQYOBQIIGLFQRP-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