General Information of the Compound
| Compound ID |
CP0517264
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| Compound Name |
US9481682, 154
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| Structure |
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| Formula |
C25H24ClN7O2S
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| Molecular Weight |
522.034
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| Canonical SMILES |
Cc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)s1
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| InChI |
InChI=1S/C25H24ClN7O2S/c1-13-10-29-25(36-13)31-24(35)15-4-2-14(3-5-15)20-21-22(27)28-11-18(26)33(21)23(30-20)16-6-7-17-8-9-19(34)32(17)12-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H2,27,28)(H,29,31,35)/t16-,17+/m1/s1
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| InChIKey |
VXIBSCTUMPOZAF-SJORKVTESA-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