General Information of the Compound
| Compound ID |
CP0221620
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| Compound Name |
CHEMBL3109348
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@H]3CC[C@H](N)CC3)c2n1
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| InChI |
InChI=1S/C25H28N4O3/c1-30-13-14-31-20-11-12-29-22(16-27-24(29)15-20)21-10-5-17-3-2-4-23(25(17)28-21)32-19-8-6-18(26)7-9-19/h2-5,10-12,15-16,18-19H,6-9,13-14,26H2,1H3/t18-,19-
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| InChIKey |
QQQWALLKBNQXFJ-WGSAOQKQSA-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