General Information of the Compound
| Compound ID |
CP0578520
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| Compound Name |
6-(cyclopropanecarbonylamino)-4-[3-[(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)carbamoyl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C29H29N7O5
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| Molecular Weight |
558.6133053
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| Canonical SMILES |
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(C(=O)Nc2ccc3C(=O)N(Cc3c2)C2CC2)c1OC
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| InChI |
InChI=1S/C29H29N7O5/c1-30-28(39)24-22(13-23(34-35-24)33-26(37)15-6-7-15)32-21-5-3-4-20(25(21)41-2)27(38)31-17-8-11-19-16(12-17)14-36(29(19)40)18-9-10-18/h3-5,8,11-13,15,18H,6-7,9-10,14H2,1-2H3,(H,30,39)(H,31,38)(H2,32,33,34,37)/i1D3
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| InChIKey |
DUVMLRIBLIYHKV-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