General Information of the Compound
| Compound ID |
CP0963708
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| Compound Name |
1-((S)-2-amino-5-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-5-oxopentanoyl)-4-methylenepyrrolidine-2(S)-carbonitrile bis(2,2,2-trifluoroacetate)
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| Structure |
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| Formula |
C31H31F8N5O6
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| Molecular Weight |
721.602
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| Canonical SMILES |
C=C1C[C@@H](C#N)N(C(=O)[C@@H](N)CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H29F2N5O2.2C2HF3O2/c1-18-14-23(16-30)34(17-18)27(36)24(31)15-25(35)32-10-12-33(13-11-32)26(19-2-6-21(28)7-3-19)20-4-8-22(29)9-5-20;2*3-2(4,5)1(6)7/h2-9,23-24,26H,1,10-15,17,31H2;2*(H,6,7)/t23-,24-;;/m0../s1
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| InChIKey |
AXHPOBJKGSDSGY-WLKYSPGFSA-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