General Information of the Compound
| Compound ID |
CP0273965
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| Compound Name |
US9163008, 63
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| Structure |
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| Formula |
C19H17ClN6O3
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| Molecular Weight |
412.837
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| Canonical SMILES |
C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(Cl)cn2)cc1)C(N)=O)C(N)=O
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| InChI |
InChI=1S/C19H17ClN6O3/c1-10(17(21)27)24-15-8-14(18(22)28)25-19(26-15)11-2-5-13(6-3-11)29-16-7-4-12(20)9-23-16/h2-10H,1H3,(H2,21,27)(H2,22,28)(H,24,25,26)/t10-/m0/s1
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| InChIKey |
MZOPJCMGXOIERS-JTQLQIEISA-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