General Information of the Compound
| Compound ID |
CP0578152
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| Compound Name |
US9481682, 35
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| Structure |
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| Formula |
C28H26N8O3
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| Molecular Weight |
522.569
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C#N
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| InChI |
InChI=1S/C28H26N8O3/c1-39-21-13-17(28(38)33-22-12-16(14-29)8-9-31-22)3-6-20(21)24-25-26(30)32-10-11-35(25)27(34-24)18-2-4-19-5-7-23(37)36(19)15-18/h3,6,8-13,18-19H,2,4-5,7,15H2,1H3,(H2,30,32)(H,31,33,38)/t18-,19+/m1/s1
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| InChIKey |
JHXVJUWKZKHIAT-MOPGFXCFSA-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