General Information of the Compound
| Compound ID |
CP0484784
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| Compound Name |
US8962837, 32
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| Structure |
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| Formula |
C14H14ClN5O3
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| Molecular Weight |
335.751
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Cl)c(OC2CCN(CC2)c2nccnn2)c1
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| InChI |
InChI=1S/C14H14ClN5O3/c15-12-2-1-10(20(21)22)9-13(12)23-11-3-7-19(8-4-11)14-16-5-6-17-18-14/h1-2,5-6,9,11H,3-4,7-8H2
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| InChIKey |
PKYCAZGMGWMHIV-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