General Information of the Compound
| Compound ID |
CP0921492
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| Compound Name |
2-[4-(8-chloro-5H-dibenzo[b,e][1,4]diazepin-11-yl)-piperazin-1-yl]-ethanol
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| Structure |
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| Formula |
C19H21ClN4O
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| Molecular Weight |
356.857
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| Canonical SMILES |
OCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1
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| InChI |
InChI=1S/C19H21ClN4O/c20-14-5-6-17-18(13-14)22-19(15-3-1-2-4-16(15)21-17)24-9-7-23(8-10-24)11-12-25/h1-6,13,21,25H,7-12H2
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| InChIKey |
LVNLRGQSRWKLLI-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