General Information of the Compound
| Compound ID |
CP0180780
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| Compound Name |
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-cyanoquinoline-3-carboxamide
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| Structure |
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| Formula |
C19H15ClN4O
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| Molecular Weight |
350.809
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| Canonical SMILES |
C[C@@H](Nc1c(cnc2ccc(cc12)C#N)C(N)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H15ClN4O/c1-11(13-3-5-14(20)6-4-13)24-18-15-8-12(9-21)2-7-17(15)23-10-16(18)19(22)25/h2-8,10-11H,1H3,(H2,22,25)(H,23,24)/t11-/m1/s1
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| InChIKey |
CEUPOOINALBZRR-LLVKDONJSA-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