General Information of the Compound
| Compound ID |
CP0557893
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| Compound Name |
CHEMBL4536228
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| Formula |
C28H34N8O
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| Molecular Weight |
498.635
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cn1
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| InChI |
InChI=1S/C28H34N8O/c1-37-23-13-6-18(7-14-23)24-15-12-21(16-30-24)32-26-25-27(36(17-31-25)22-4-2-3-5-22)35-28(34-26)33-20-10-8-19(29)9-11-20/h6-7,12-17,19-20,22H,2-5,8-11,29H2,1H3,(H2,32,33,34,35)/t19-,20-
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| InChIKey |
HTGKKZRBSRHERK-MXVIHJGJSA-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