General Information of the Compound
| Compound ID |
CP0949935
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| Compound Name |
8-chloro-11-piperidin-1-yl-5H-dibenzo[b,e][1,4]diazepine
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| Structure |
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| Formula |
C18H18ClN3
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| Molecular Weight |
311.816
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| Canonical SMILES |
Clc1ccc2c(c1)N=C(N1CCCCC1)c1ccccc1N2
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| InChI |
InChI=1S/C18H18ClN3/c19-13-8-9-16-17(12-13)21-18(22-10-4-1-5-11-22)14-6-2-3-7-15(14)20-16/h2-3,6-9,12,20H,1,4-5,10-11H2
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| InChIKey |
AIPDTAGTECXKTJ-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