General Information of the Compound
| Compound ID |
CP0423188
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| Compound Name |
CHEMBL4069890
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| Formula |
C20H31N5O
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| Molecular Weight |
357.502
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| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]cc(C3CCOCC3)c12
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| InChI |
InChI=1S/C20H31N5O/c1-24(2)15-4-6-16(7-5-15)25(3)20-18-17(14-8-10-26-11-9-14)12-21-19(18)22-13-23-20/h12-16H,4-11H2,1-3H3,(H,21,22,23)/t15-,16-
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| InChIKey |
CZFHBZFDFYPOFD-WKILWMFISA-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