General Information of the Compound
| Compound ID |
CP0540616
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| Compound Name |
CHEMBL2414674
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| Formula |
C24H29N7O2
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| Molecular Weight |
447.543
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| Canonical SMILES |
Cc1nnc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1C
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| InChI |
InChI=1S/C24H29N7O2/c1-15-28-29-20(30(15)2)13-16-3-5-17(6-4-16)18-7-9-19(10-8-18)31-11-12-33-23-21(24(31)32)22(25)26-14-27-23/h7-10,14,16-17H,3-6,11-13H2,1-2H3,(H2,25,26,27)/t16-,17-
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| InChIKey |
DZFDAVIXIIKXSW-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