General Information of the Compound
| Compound ID |
CP0551903
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| Compound Name |
US9481682, 210
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| Structure |
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| Formula |
C28H28ClN7O3
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| Molecular Weight |
546.031
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1ccc(C)cn1
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| InChI |
InChI=1S/C28H28ClN7O3/c1-15-3-9-22(31-12-15)33-28(38)16-5-8-19(20(11-16)39-2)24-25-26(30)32-13-21(29)36(25)27(34-24)17-4-6-18-7-10-23(37)35(18)14-17/h3,5,8-9,11-13,17-18H,4,6-7,10,14H2,1-2H3,(H2,30,32)(H,31,33,38)/t17-,18+/m1/s1
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| InChIKey |
UZDMWNTYANGZTQ-MSOLQXFVSA-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