General Information of the Compound
| Compound ID |
CP0471038
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| Compound Name |
CHEMBL4648987
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| Formula |
C27H34N6O2
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| Molecular Weight |
474.609
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1ccnc(N)c1
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| InChI |
InChI=1S/C27H34N6O2/c1-2-35-27(34)21-16-30-23-10-9-22(19-11-12-29-24(28)15-19)32-26(23)25(21)31-20-7-5-18(6-8-20)17-33-13-3-4-14-33/h9-12,15-16,18,20H,2-8,13-14,17H2,1H3,(H2,28,29)(H,30,31)/t18-,20-
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| InChIKey |
WMOSGGIUGXCLPV-KESTWPANSA-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