General Information of the Compound
| Compound ID |
CP0014497
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| Compound Name |
CHEMBL4209694
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| Formula |
C25H37N7O2
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| Molecular Weight |
467.618
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| Canonical SMILES |
CCCCCCn1cnc2c(Nc3cc(OC)cc(OC)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C25H37N7O2/c1-4-5-6-7-12-32-16-27-22-23(28-19-13-20(33-2)15-21(14-19)34-3)30-25(31-24(22)32)29-18-10-8-17(26)9-11-18/h13-18H,4-12,26H2,1-3H3,(H2,28,29,30,31)/t17-,18-
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| InChIKey |
BORSNSYPCDXWBZ-IYARVYRRSA-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