General Information of the Compound
| Compound ID |
CP0469667
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| Compound Name |
CHEMBL3786558
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| Formula |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
CC12CCC(COc3cccc(c3)-c3cn([C@@H]4C[C@H](CO)C4)c4ncnc(N)c34)(CC1)O2
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| InChI |
InChI=1S/C25H30N4O3/c1-24-5-7-25(32-24,8-6-24)14-31-19-4-2-3-17(11-19)20-12-29(18-9-16(10-18)13-30)23-21(20)22(26)27-15-28-23/h2-4,11-12,15-16,18,30H,5-10,13-14H2,1H3,(H2,26,27,28)/t16-,18+,24?,25?
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| InChIKey |
RCXOHBIYCKGQFU-XALROXTMSA-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