General Information of the Compound
| Compound ID |
CP0367994
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[3-[[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C29H30FN7O5
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| Molecular Weight |
578.6193053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)c(F)c2)c1OC
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| InChI |
InChI=1S/C29H30FN7O5/c1-31-28(40)24-22(15-23(35-36-24)34-26(38)16-8-9-16)33-21-7-5-6-19(25(21)42-2)27(39)32-17-10-11-18(20(30)14-17)29(41)37-12-3-4-13-37/h5-7,10-11,14-16H,3-4,8-9,12-13H2,1-2H3,(H,31,40)(H,32,39)(H2,33,34,35,38)/i1D3
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| InChIKey |
DUJZUWWBMPOEDQ-FIBGUPNXSA-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