General Information of the Compound
| Compound ID |
CP0478196
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| Compound Name |
US9169240, 45
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| Structure |
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| Formula |
C26H28N4O2S
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| Molecular Weight |
460.603
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| Canonical SMILES |
CC(C)(C)CN1CCC(CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C26H28N4O2S/c1-26(2,3)16-30-13-11-18(12-14-30)23-28-29-24(32-23)22(31)25-27-20-10-9-19(15-21(20)33-25)17-7-5-4-6-8-17/h4-10,15,18H,11-14,16H2,1-3H3
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| InChIKey |
QPGAVZYYNXQZQT-UHFFFAOYSA-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