General Information of the Compound
| Compound ID |
CP0540878
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| Compound Name |
CHEMBL4456514
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| Formula |
C18H21N5O2
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| Molecular Weight |
339.399
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| Canonical SMILES |
Cn1c2cnc(Nc3ccccc3)nc2n([C@H]2CC[C@H](O)CC2)c1=O
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| InChI |
InChI=1S/C18H21N5O2/c1-22-15-11-19-17(20-12-5-3-2-4-6-12)21-16(15)23(18(22)25)13-7-9-14(24)10-8-13/h2-6,11,13-14,24H,7-10H2,1H3,(H,19,20,21)/t13-,14-
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| InChIKey |
HGNNONNHILOHLR-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