General Information of the Compound
| Compound ID |
CP0467268
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| Compound Name |
2-amino-N-[8-chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,e][1,4]diazepin-5-yl]-6-trifluoromethyl-benzamide
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| Structure |
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| Formula |
C26H24ClF3N6O
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| Molecular Weight |
528.966
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)c2c(N)cccc2C(F)(F)F)c2ccccc12
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| InChI |
InChI=1S/C26H24ClF3N6O/c1-34-11-13-35(14-12-34)24-17-5-2-3-8-21(17)36(22-10-9-16(27)15-20(22)32-24)33-25(37)23-18(26(28,29)30)6-4-7-19(23)31/h2-10,15H,11-14,31H2,1H3,(H,33,37)
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| InChIKey |
PSULVKVPLZZSRC-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