General Information of the Compound
| Compound ID |
CP0579359
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| Compound Name |
5,18-dimethyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-14-oxo-9-oxa-15,18,23,25,26-pentazatetracyclo[17.5.2.14,8.022,25]heptacosa-1(24),4,6,8(27),19(26),20,22-heptaen-2-yne-6-carboxamide
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| Structure |
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| Formula |
C37H41F3N8O3
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| Molecular Weight |
702.782
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| Canonical SMILES |
CN1CCN(Cc2cc(NC(=O)c3cc4OCCCCC(=O)NCCN(C)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C37H41F3N8O3/c1-25-27-7-8-30-23-42-33-9-10-34(44-48(30)33)46(3)12-11-41-35(49)6-4-5-17-51-31(20-27)22-32(25)36(50)43-29-19-26(18-28(21-29)37(38,39)40)24-47-15-13-45(2)14-16-47/h9-10,18-23H,4-6,11-17,24H2,1-3H3,(H,41,49)(H,43,50)
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| InChIKey |
RUKTWERRDLRGTH-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