General Information of the Compound
| Compound ID |
CP0551125
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| Compound Name |
US8987473, 134
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| Structure |
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| Formula |
C17H14Cl2N6
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| Molecular Weight |
373.247
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| Canonical SMILES |
Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3nnn[nH]3)ccc12
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| InChI |
InChI=1S/C17H14Cl2N6/c1-10-12-6-5-11(8-17-20-23-24-21-17)7-16(12)25(22-10)9-13-14(18)3-2-4-15(13)19/h2-7H,8-9H2,1H3,(H,20,21,23,24)
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| InChIKey |
DEEJHEPZVXORGD-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