General Information of the Compound
| Compound ID |
CP0553502
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| Compound Name |
N-[2,5-difluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
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| Formula |
C38H39F2N7O5
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| Molecular Weight |
711.77
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| Canonical SMILES |
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2cc(F)c(NC(=O)c3cc4C(=O)CCCc4n(-c4ccccc4)c3=O)cc2F)ccn1
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| InChI |
InChI=1S/C38H39F2N7O5/c1-44-16-18-45(19-17-44)24-11-14-46(15-12-24)38(51)43-35-20-26(10-13-41-35)52-34-23-29(39)31(22-30(34)40)42-36(49)28-21-27-32(8-5-9-33(27)48)47(37(28)50)25-6-3-2-4-7-25/h2-4,6-7,10,13,20-24H,5,8-9,11-12,14-19H2,1H3,(H,42,49)(H,41,43,51)
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| InChIKey |
MFZSNXAYRLASRN-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