General Information of the Compound
| Compound ID |
CP0535349
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| Compound Name |
(8-Chloro-11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6-yl)-(2-pyrrolidin-1-yl-ethyl)-amine
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| Structure |
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| Formula |
C18H20ClN5
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| Molecular Weight |
341.846
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| Canonical SMILES |
Clc1ccc2Nc3ncccc3N=C(NCCN3CCCC3)c2c1
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| InChI |
InChI=1S/C18H20ClN5/c19-13-5-6-15-14(12-13)17(21-8-11-24-9-1-2-10-24)23-16-4-3-7-20-18(16)22-15/h3-7,12H,1-2,8-11H2,(H,20,22)(H,21,23)
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| InChIKey |
RSRBLEQLYKUQRA-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