General Information of the Compound
| Compound ID |
CP0482235
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| Compound Name |
CHEMBL4469917
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| Formula |
C27H38N8O2
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| Molecular Weight |
506.655
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCC(O)C3)c2n1
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| InChI |
InChI=1S/C27H38N8O2/c28-19-3-7-21(8-4-19)31-27-32-25(24-26(33-27)35(17-29-24)22-9-10-23(36)15-22)30-20-5-1-18(2-6-20)16-34-11-13-37-14-12-34/h1-2,5-6,17,19,21-23,36H,3-4,7-16,28H2,(H2,30,31,32,33)/t19-,21-,22?,23?
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| InChIKey |
QBWRKVJJONPDLK-RPCDJPHFSA-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