General Information of the Compound
| Compound ID |
CP0238653
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| Compound Name |
1-methyl-4-[[(1R,2R)-2-[6-(5-methyl-1H-pyrazol-3-yl)-1,2-benzoxazol-3-yl]cyclohexanecarbonyl]amino]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H25N7O3
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| Molecular Weight |
447.499
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| Canonical SMILES |
Cc1cc(n[nH]1)-c1ccc2c(noc2c1)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C(N)=O
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| InChI |
InChI=1S/C23H25N7O3/c1-12-9-17(27-26-12)13-7-8-16-19(10-13)33-29-20(16)14-5-3-4-6-15(14)23(32)25-18-11-30(2)28-21(18)22(24)31/h7-11,14-15H,3-6H2,1-2H3,(H2,24,31)(H,25,32)(H,26,27)/t14-,15-/m1/s1
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| InChIKey |
FMIWONHNHRKYFC-HUUCEWRRSA-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