General Information of the Compound
| Compound ID |
CP0465895
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| Compound Name |
US9446130, 10
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| Structure |
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| Formula |
C26H22F3N9O
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| Molecular Weight |
533.518
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| Canonical SMILES |
Cn1cc2[C@H](CCCc2n1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
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| InChI |
InChI=1S/C26H22F3N9O/c1-37-12-17-18(35-37)3-2-4-19(17)38-24-21(23(30)32-13-33-24)22(36-38)14-5-7-15(8-6-14)25(39)34-20-11-16(9-10-31-20)26(27,28)29/h5-13,19H,2-4H2,1H3,(H2,30,32,33)(H,31,34,39)/t19-/m0/s1
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| InChIKey |
PMTZBZSNTTWACN-IBGZPJMESA-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