General Information of the Compound
| Compound ID |
CP0376194
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| Compound Name |
N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]butanamide
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| Structure |
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| Formula |
C22H26ClN5O
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| Molecular Weight |
411.937
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| Canonical SMILES |
CCCC(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc12
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| InChI |
InChI=1S/C22H26ClN5O/c1-3-6-21(29)25-28-19-8-5-4-7-17(19)22(27-13-11-26(2)12-14-27)24-18-15-16(23)9-10-20(18)28/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,25,29)
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| InChIKey |
NHLNXRIZUSPOSP-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