General Information of the Compound
| Compound ID |
CP0507368
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| Compound Name |
US9481682, 208
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| Structure |
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| Formula |
C28H28ClN7O4
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| Molecular Weight |
562.03
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| Canonical SMILES |
COc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4c(Cl)cnc(N)c34)c(OC)c2)c1
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| InChI |
InChI=1S/C28H28ClN7O4/c1-39-18-9-10-31-22(12-18)33-28(38)15-4-7-19(20(11-15)40-2)24-25-26(30)32-13-21(29)36(25)27(34-24)16-3-5-17-6-8-23(37)35(17)14-16/h4,7,9-13,16-17H,3,5-6,8,14H2,1-2H3,(H2,30,32)(H,31,33,38)/t16-,17+/m1/s1
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| InChIKey |
STVXXJRFJRWRCV-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