General Information of the Compound
| Compound ID |
CP0375927
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| Compound Name |
CHEMBL2414697
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| Formula |
C24H29N5O5
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| Molecular Weight |
467.526
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| Canonical SMILES |
CN(CC(O)=O)C(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O
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| InChI |
InChI=1S/C24H29N5O5/c1-28(13-20(31)32)19(30)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)29-10-11-34-23-21(24(29)33)22(25)26-14-27-23/h6-9,14-16H,2-5,10-13H2,1H3,(H,31,32)(H2,25,26,27)/t15-,16-
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| InChIKey |
VUFZJFNCHFIXSW-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