General Information of the Compound
| Compound ID |
CP0142791
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| Compound Name |
7-(2-chloro-6-fluorophenyl)-12-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-2,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-8-one
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| Structure |
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| Formula |
C26H21ClFN7O
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| Molecular Weight |
501.953
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| Canonical SMILES |
CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C2(CC2)C1
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| InChI |
InChI=1S/C26H21ClFN7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)
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| InChIKey |
YFRNHMAIZOCUPR-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