General Information of the Compound
| Compound ID |
CP0012352
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| Compound Name |
CHEMBL4207999
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| Formula |
C24H35N7O2
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| Molecular Weight |
453.591
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| Canonical SMILES |
COc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(CCC(C)C)cnc23)c(OC)c1
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| InChI |
InChI=1S/C24H35N7O2/c1-15(2)11-12-31-14-26-21-22(28-19-10-9-18(32-3)13-20(19)33-4)29-24(30-23(21)31)27-17-7-5-16(25)6-8-17/h9-10,13-17H,5-8,11-12,25H2,1-4H3,(H2,27,28,29,30)/t16-,17-
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| InChIKey |
QAFUDDVHEZOOCU-QAQDUYKDSA-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