General Information of the Compound
| Compound ID |
CP0569300
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| Compound Name |
(2S)-1-[[2-[3-[(Z)-N-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-C-(trifluoromethyl)carbonimidoyl]-1-ethylindol-5-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
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| Formula |
C31H25F4N7O2S2
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| Molecular Weight |
667.714
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc(c(s2)C#N)-c2ccc(F)cc2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCC[C@H]2C(O)=O)cs1
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| InChI |
InChI=1S/C31H25F4N7O2S2/c1-2-41-15-22(27(31(33,34)35)39-40-30-38-26(25(13-36)46-30)17-5-8-19(32)9-6-17)21-12-18(7-10-23(21)41)28-37-20(16-45-28)14-42-11-3-4-24(42)29(43)44/h5-10,12,15-16,24H,2-4,11,14H2,1H3,(H,38,40)(H,43,44)/b39-27-/t24-/m0/s1
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| InChIKey |
VYMAFXHRBJFYTP-PIHYWTKHSA-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