General Information of the Compound
| Compound ID |
CP0541650
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| Compound Name |
CHEMBL4564698
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| Formula |
C25H36N8O2
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| Molecular Weight |
480.617
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(CCCO)c2n1
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| InChI |
InChI=1S/C25H36N8O2/c26-19-4-8-21(9-5-19)29-25-30-23(22-24(31-25)33(17-27-22)10-1-13-34)28-20-6-2-18(3-7-20)16-32-11-14-35-15-12-32/h2-3,6-7,17,19,21,34H,1,4-5,8-16,26H2,(H2,28,29,30,31)/t19-,21-
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| InChIKey |
BHFNWJFWQLYFSY-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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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