General Information of the Compound
| Compound ID |
CP0376391
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| Compound Name |
2-chloro-N-[8-chloro-11-(4-isobutyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-benzamide
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| Structure |
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| Formula |
C28H29Cl2N5O
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| Molecular Weight |
522.48
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| Canonical SMILES |
CC(C)CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2ccccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C28H29Cl2N5O/c1-19(2)18-33-13-15-34(16-14-33)27-22-8-4-6-10-25(22)35(26-12-11-20(29)17-24(26)31-27)32-28(36)21-7-3-5-9-23(21)30/h3-12,17,19H,13-16,18H2,1-2H3,(H,32,36)
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| InChIKey |
ATMSNHXEYRRTQU-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