General Information of the Compound
| Compound ID |
CP0949793
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| Compound Name |
(S)-2-Amino-4-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1-(pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)butane-1,4-dione 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C28H29F5N6O4
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| Molecular Weight |
608.568
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| Canonical SMILES |
N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2cn[nH]c2C1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H28F2N6O2.C2HF3O2/c27-20-5-1-17(2-6-20)25(18-3-7-21(28)8-4-18)33-11-9-32(10-12-33)24(35)13-22(29)26(36)34-15-19-14-30-31-23(19)16-34;3-2(4,5)1(6)7/h1-8,14,22,25H,9-13,15-16,29H2,(H,30,31);(H,6,7)/t22-;/m0./s1
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| InChIKey |
YHZBXYKFCOZOCG-FTBISJDPSA-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