General Information of the Compound
| Compound ID |
CP0894404
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| Compound Name |
(2S,4S)-1-((S)-2-amino-4-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-4-oxobutanoyl)-4-azidopyrrolidine-2-carbonitrile bis(2,2,2-trifluoroacetate)
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| Structure |
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| Formula |
C30H30F8N8O6
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| Molecular Weight |
750.604
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| Canonical SMILES |
N#C[C@@H]1C[C@H](N=[N+]=[N-])CN1C(=O)[C@@H](N)CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H28F2N8O2.2C2HF3O2/c27-19-5-1-17(2-6-19)25(18-3-7-20(28)8-4-18)35-11-9-34(10-12-35)24(37)14-23(30)26(38)36-16-21(32-33-31)13-22(36)15-29;2*3-2(4,5)1(6)7/h1-8,21-23,25H,9-14,16,30H2;2*(H,6,7)/t21-,22-,23-;;/m0../s1
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| InChIKey |
DOQJBEDBWAHBPT-XQCXOTTHSA-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