General Information of the Compound
| Compound ID |
CP0921856
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| Compound Name |
(S)-2-Amino-4-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1-(2-methyl-4H-pyrrolo[3,4-d]thiazol-5(6H)-yl)butane-1,4-dione 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C29H30F5N5O4S
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| Molecular Weight |
639.647
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| Canonical SMILES |
Cc1nc2c(s1)CN(C(=O)[C@@H](N)CC(=O)N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C27H29F2N5O2S.C2HF3O2/c1-17-31-23-15-34(16-24(23)37-17)27(36)22(30)14-25(35)32-10-12-33(13-11-32)26(18-2-6-20(28)7-3-18)19-4-8-21(29)9-5-19;3-2(4,5)1(6)7/h2-9,22,26H,10-16,30H2,1H3;(H,6,7)/t22-;/m0./s1
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| InChIKey |
HUATYQRCCPQTCX-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