General Information of the Compound
| Compound ID |
CP0460944
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| Compound Name |
2-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-1-[(2R)-pyrrolidin-2-yl]ethanone
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| Structure |
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| Formula |
C25H31F2N9O2
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| Molecular Weight |
527.58
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| Canonical SMILES |
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC(=O)[C@H]2CCCN2)CC1)N1CCOCC1
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| InChI |
InChI=1S/C25H31F2N9O2/c26-21(27)22-29-17-4-1-2-6-19(17)36(22)25-31-23(30-24(32-25)35-12-14-38-15-13-35)34-10-8-33(9-11-34)16-20(37)18-5-3-7-28-18/h1-2,4,6,18,21,28H,3,5,7-16H2/t18-/m1/s1
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| InChIKey |
JUJOPPKPEVAXKP-GOSISDBHSA-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