General Information of the Compound
| Compound ID |
CP0228900
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| Compound Name |
CHEMBL4878046
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| Formula |
C17H21N5O2
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| Molecular Weight |
327.388
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| Canonical SMILES |
NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1
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| InChI |
InChI=1S/C17H21N5O2/c18-15(24)14-10-19-17(21-12-6-8-13(23)9-7-12)22-16(14)20-11-4-2-1-3-5-11/h1-5,10,12-13,23H,6-9H2,(H2,18,24)(H2,19,20,21,22)/t12-,13-
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| InChIKey |
HBVKYTFESIYABI-JOCQHMNTSA-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