General Information of the Compound
| Compound ID |
CP0390068
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| Compound Name |
CHEMBL4079194
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| Formula |
C23H31N5O2
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| Molecular Weight |
409.534
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| Canonical SMILES |
N#Cc1cnc2[nH]cc(C3CCOCC3)c2c1N[C@H]1CC[C@@H](CC1)N1CCOCC1
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| InChI |
InChI=1S/C23H31N5O2/c24-13-17-14-25-23-21(20(15-26-23)16-5-9-29-10-6-16)22(17)27-18-1-3-19(4-2-18)28-7-11-30-12-8-28/h14-16,18-19H,1-12H2,(H2,25,26,27)/t18-,19-
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| InChIKey |
IMJVSHBHPUUQKZ-WGSAOQKQSA-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