General Information of the Compound
| Compound ID |
CP0481796
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| Compound Name |
CHEMBL4521212
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| Formula |
C24H33N9O2
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| Molecular Weight |
479.589
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| Canonical SMILES |
COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(C)nc12
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| InChI |
InChI=1S/C24H33N9O2/c1-16-4-9-20-21(26-16)22(30-23(29-20)28-18-14-25-31(2)15-18)27-17-5-7-19(8-6-17)32-10-12-33(13-11-32)24(34)35-3/h4,9,14-15,17,19H,5-8,10-13H2,1-3H3,(H2,27,28,29,30)/t17-,19-
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| InChIKey |
SZOZZBOATVCCRZ-UAPYVXQJSA-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