General Information of the Compound
| Compound ID |
CP0354413
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| Compound Name |
3-amino-6-chloro-5-[(3S)-4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-[2-(sulfamoylamino)ethyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C25H36ClF2N9O3S
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| Molecular Weight |
616.139
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(Cc2ccc(F)c(F)c2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(N)(=O)=O
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| InChI |
InChI=1S/C25H36ClF2N9O3S/c1-2-17-15-36(24-22(26)33-21(23(29)34-24)25(38)31-7-8-32-41(30,39)40)11-12-37(17)18-5-9-35(10-6-18)14-16-3-4-19(27)20(28)13-16/h3-4,13,17-18,32H,2,5-12,14-15H2,1H3,(H2,29,34)(H,31,38)(H2,30,39,40)/t17-/m0/s1
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| InChIKey |
WROSYTKKBKLVOK-KRWDZBQOSA-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