General Information of the Compound
| Compound ID |
CP0014357
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| Compound Name |
CHEMBL4858121
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| Formula |
C22H28N8O2
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| Molecular Weight |
436.52
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| Canonical SMILES |
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1cnc(C)nc1
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| InChI |
InChI=1S/C22H28N8O2/c1-4-30-20(15-9-23-13(2)24-10-15)28-18-19(25-12-26-21(18)30)27-16-5-6-29(11-16)22(31)14-7-17(8-14)32-3/h9-10,12,14,16-17H,4-8,11H2,1-3H3,(H,25,26,27)/t14-,16-,17+/m0/s1
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| InChIKey |
GOLYFIWBHHZOKV-BHYGNILZSA-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