General Information of the Compound
| Compound ID |
CP0251770
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| Compound Name |
US9242977, 66-27
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| Structure |
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| Formula |
C33H32N8O5S
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| Molecular Weight |
652.737
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| Canonical SMILES |
COC(=O)c1cccc(c1)-n1nc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnc(s2)N2CCCC2=O)nc1)C(C)(C)C
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| InChI |
InChI=1S/C33H32N8O5S/c1-33(2,3)26-16-27(41(39-26)23-8-5-7-21(15-23)29(43)45-4)38-30(44)37-22-17-34-31(35-18-22)46-24-12-10-20(11-13-24)25-19-36-32(47-25)40-14-6-9-28(40)42/h5,7-8,10-13,15-19H,6,9,14H2,1-4H3,(H2,37,38,44)
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| InChIKey |
ODGQYNDBTMEAKZ-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