General Information of the Compound
| Compound ID |
CP0406850
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| Compound Name |
US9145419, 11
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| Structure |
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| Formula |
C18H13ClN4
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| Molecular Weight |
320.783
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| Canonical SMILES |
Cc1ccncc1-c1ccnn2c(cnc12)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C18H13ClN4/c1-12-5-7-20-10-16(12)15-6-8-22-23-17(11-21-18(15)23)13-3-2-4-14(19)9-13/h2-11H,1H3
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| InChIKey |
IXTAQBDPEKUNJH-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