General Information of the Compound
| Compound ID |
CP0010458
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| Compound Name |
US9777008, Compound 247
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| Structure |
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| Formula |
C30H36N8O2
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| Molecular Weight |
540.672
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| Canonical SMILES |
CN1CCN(CC1)C(=O)Cn1ccc2cnc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C30H36N8O2/c1-35-12-14-37(15-13-35)28(40)21-38-11-8-24-17-33-29(34-30(24)38)23-6-9-31-27(16-23)32-18-26(39)20-36-10-7-22-4-2-3-5-25(22)19-36/h2-6,8-9,11,16-17,26,39H,7,10,12-15,18-21H2,1H3,(H,31,32)
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| InChIKey |
JWRATQRSVDIFQE-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