General Information of the Compound
| Compound ID |
CP0549685
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| Compound Name |
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C24H29F2N9O3
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| Molecular Weight |
529.552
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| Canonical SMILES |
C[C@@H](NC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1)C(N)=O
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| InChI |
InChI=1S/C24H29F2N9O3/c1-14(19(27)36)28-21(37)15-6-8-33(9-7-15)22-30-23(34-10-12-38-13-11-34)32-24(31-22)35-17-5-3-2-4-16(17)29-20(35)18(25)26/h2-5,14-15,18H,6-13H2,1H3,(H2,27,36)(H,28,37)/t14-/m1/s1
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| InChIKey |
SSIABNCMWUTBHR-CQSZACIVSA-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