General Information of the Compound
| Compound ID |
CP0529261
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| Compound Name |
US9029360, 1
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| Structure |
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| Formula |
C16H13BrClN5O
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| Molecular Weight |
406.671
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| Canonical SMILES |
Clc1ccc2CCN(CCc2n1)C(=O)c1cc2ncc(Br)cn2n1
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| InChI |
InChI=1S/C16H13BrClN5O/c17-11-8-19-15-7-13(21-23(15)9-11)16(24)22-5-3-10-1-2-14(18)20-12(10)4-6-22/h1-2,7-9H,3-6H2
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| InChIKey |
OPKPLRYJWROWIB-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