General Information of the Compound
| Compound ID |
CP0557812
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| Compound Name |
CHEMBL4863103
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| Formula |
C25H23N5O
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| Molecular Weight |
409.493
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| Canonical SMILES |
CC[C@@H](NC(=O)c1ccc(cc1)C#N)[C@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2ccc(cc12)C#N
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| InChI |
InChI=1S/C25H23N5O/c1-2-21(29-25(31)17-6-3-15(12-26)4-7-17)24-19-10-18(11-20(19)24)30-14-28-22-8-5-16(13-27)9-23(22)30/h3-9,14,18-21,24H,2,10-11H2,1H3,(H,29,31)/t18-,19-,20+,21-,24-/m1/s1
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| InChIKey |
NQFKEQHUCSROAN-XQWURTRYSA-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