General Information of the Compound
Compound ID |
CP0558850
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Compound Name |
CHEMBL4558664
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Formula |
C28H34N8
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Molecular Weight |
482.636
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Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)-c2ccccc2N)c2ncn(C3CCCC3)c2n1
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InChI |
InChI=1S/C28H34N8/c29-19-11-15-21(16-12-19)33-28-34-26(25-27(35-28)36(17-31-25)22-5-1-2-6-22)32-20-13-9-18(10-14-20)23-7-3-4-8-24(23)30/h3-4,7-10,13-14,17,19,21-22H,1-2,5-6,11-12,15-16,29-30H2,(H2,32,33,34,35)/t19-,21-
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InChIKey |
AQICJEOHUOAJBG-XUTJKUGGSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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