General Information of the Compound
| Compound ID |
CP0005476
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| Compound Name |
CHEMBL4215315
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| Formula |
C23H33N7O2
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| Molecular Weight |
439.564
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| Canonical SMILES |
CCCCn1cnc2c(Nc3cc(OC)cc(OC)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
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| InChI |
InChI=1S/C23H33N7O2/c1-4-5-10-30-14-25-20-21(26-17-11-18(31-2)13-19(12-17)32-3)28-23(29-22(20)30)27-16-8-6-15(24)7-9-16/h11-16H,4-10,24H2,1-3H3,(H2,26,27,28,29)/t15-,16-
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| InChIKey |
RLXAIBAERUVCCV-WKILWMFISA-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