General Information of the Compound
| Compound ID |
CP0573276
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| Compound Name |
US9266877, 183
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| Structure |
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| Formula |
C34H32N6O3S
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| Molecular Weight |
604.736
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| Canonical SMILES |
Cc1c(ccnc1N1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C34H32N6O3S/c1-21-23(14-16-35-31(21)39-17-5-2-6-18-39)24-12-13-29(37-30(24)33(42)43)40-19-15-22-8-7-9-25(26(22)20-40)32(41)38-34-36-27-10-3-4-11-28(27)44-34/h3-4,7-14,16H,2,5-6,15,17-20H2,1H3,(H,42,43)(H,36,38,41)
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| InChIKey |
HKNKCAZCHTYIRC-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