General Information of the Compound
| Compound ID |
CP0579387
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| Compound Name |
N-[3-chloro-5-(trifluoromethyl)phenyl]-5,18-dimethyl-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 |
C31H28ClF3N6O3
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| Molecular Weight |
625.051
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| Canonical SMILES |
CN1CCNC(=O)CCCCOc2cc(C#Cc3cnc4ccc1nn34)c(C)c(c2)C(=O)Nc1cc(Cl)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C31H28ClF3N6O3/c1-19-20-6-7-24-18-37-27-8-9-28(39-41(24)27)40(2)11-10-36-29(42)5-3-4-12-44-25(13-20)17-26(19)30(43)38-23-15-21(31(33,34)35)14-22(32)16-23/h8-9,13-18H,3-5,10-12H2,1-2H3,(H,36,42)(H,38,43)
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| InChIKey |
SSTIMZHRJKXPQP-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