General Information of the Compound
| Compound ID |
CP0486462
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| Compound Name |
CHEMBL3769478
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| Formula |
C26H27ClN6O3
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| Molecular Weight |
506.994
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| Canonical SMILES |
CN[C@H]1CO[C@H](Cn2c3nc(NC)ncc3cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c2=O)OC1
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| InChI |
InChI=1S/C26H27ClN6O3/c1-15-5-4-6-22(31-15)16-7-8-19(21(27)10-16)20-9-17-11-30-26(29-3)32-24(17)33(25(20)34)12-23-35-13-18(28-2)14-36-23/h4-11,18,23,28H,12-14H2,1-3H3,(H,29,30,32)/t18-,23-
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| InChIKey |
SGTPEULULIFDRG-RXAXNXDRSA-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