General Information of the Compound
| Compound ID |
CP0575643
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| Compound Name |
US9062059, 14-3
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| Structure |
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| Formula |
C21H23N5O
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| Molecular Weight |
361.449
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| Canonical SMILES |
Cc1nc(NCc2ccncc2C)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1
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| InChI |
InChI=1S/C21H23N5O/c1-14-11-22-8-6-16(14)12-24-20-10-21(26-15(2)25-20)27-13-17-9-18(17)19-5-3-4-7-23-19/h3-8,10-11,17-18H,9,12-13H2,1-2H3,(H,24,25,26)/t17-,18+/m1/s1
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| InChIKey |
PCINJCMXJVAFDP-MSOLQXFVSA-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