General Information of the Compound
| Compound ID |
CP0236774
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| Compound Name |
3-amino-5-[(3S)-4-[1-[[2-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-4-chlorophenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloropyrazine-2-carboxamide
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| Structure |
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| Formula |
C25H34Cl2N8O3
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| Molecular Weight |
565.506
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2[C@H](O)C(N)=O)CC1)c1nc(N)c(nc1Cl)C(N)=O
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| InChI |
InChI=1S/C25H34Cl2N8O3/c1-2-16-13-34(25-21(27)31-19(23(29)37)22(28)32-25)9-10-35(16)17-5-7-33(8-6-17)12-14-3-4-15(26)11-18(14)20(36)24(30)38/h3-4,11,16-17,20,36H,2,5-10,12-13H2,1H3,(H2,28,32)(H2,29,37)(H2,30,38)/t16-,20-/m0/s1
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| InChIKey |
NODKMARWCGQTPH-JXFKEZNVSA-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