General Information of the Compound
| Compound ID |
CP0303487
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| Compound Name |
(3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-amine
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| Structure |
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| Formula |
C16H11ClN4
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| Molecular Weight |
294.745
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
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| InChI |
InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
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| InChIKey |
XOWGESNQLHDSON-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