General Information of the Compound
| Compound ID |
CP0519145
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| Compound Name |
US8940771, 1
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| Structure |
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| Formula |
C23H27N5O4S2
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| Molecular Weight |
501.634
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| Canonical SMILES |
CCCC1=NC=CC1c1cc(ccc1S(C)(=O)=O)-c1cnc(NC(=O)N2CCCC2C(N)=O)s1
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| InChI |
InChI=1S/C23H27N5O4S2/c1-3-5-17-15(9-10-25-17)16-12-14(7-8-20(16)34(2,31)32)19-13-26-22(33-19)27-23(30)28-11-4-6-18(28)21(24)29/h7-10,12-13,15,18H,3-6,11H2,1-2H3,(H2,24,29)(H,26,27,30)
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| InChIKey |
YLXGHYNOVVAPOV-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