General Information of the Compound
| Compound ID |
CP0085265
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| Compound Name |
CHEMBL2375954
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| Formula |
C20H25N7O3
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| Molecular Weight |
411.466
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| Canonical SMILES |
Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C20H25N7O3/c1-11-15-7-16(12-8-23-26(2)9-12)19(29)27(18(15)25-20(22)24-11)13-3-5-14(6-4-13)30-10-17(21)28/h7-9,13-14H,3-6,10H2,1-2H3,(H2,21,28)(H2,22,24,25)/t13-,14-
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| InChIKey |
LOYNAYXFINASCA-HDJSIYSDSA-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