General Information of the Compound
| Compound ID |
CP0347329
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| Compound Name |
1-methyl-4-[[(1S,3R,4R,6R)-4-[6-(5-methyl-1H-pyrazol-3-yl)-1,2-benzoxazol-3-yl]bicyclo[4.1.0]heptane-3-carbonyl]amino]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H25N7O3
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| Molecular Weight |
459.51
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| Canonical SMILES |
Cc1cc(n[nH]1)-c1ccc2c(noc2c1)[C@@H]1C[C@H]2C[C@H]2C[C@H]1C(=O)Nc1cn(C)nc1C(N)=O
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| InChI |
InChI=1S/C24H25N7O3/c1-11-5-18(28-27-11)12-3-4-15-20(9-12)34-30-21(15)16-7-13-6-14(13)8-17(16)24(33)26-19-10-31(2)29-22(19)23(25)32/h3-5,9-10,13-14,16-17H,6-8H2,1-2H3,(H2,25,32)(H,26,33)(H,27,28)/t13-,14+,16-,17-/m1/s1
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| InChIKey |
DOEDYJBPQFIIMB-YALNPMBYSA-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