General Information of the Compound
| Compound ID |
CP0553303
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| Compound Name |
(2S)-1-[[2-[3-[(Z)-N-(1,3-benzothiazol-2-ylamino)-C-(trifluoromethyl)carbonimidoyl]-1-ethylindol-5-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
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| Formula |
C28H25F3N6O2S2
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| Molecular Weight |
598.676
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| Canonical SMILES |
CCn1cc(\C(=N\Nc2nc3ccccc3s2)C(F)(F)F)c2cc(ccc12)-c1nc(CN2CCC[C@H]2C(O)=O)cs1
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| InChI |
InChI=1S/C28H25F3N6O2S2/c1-2-36-14-19(24(28(29,30)31)34-35-27-33-20-6-3-4-8-23(20)41-27)18-12-16(9-10-21(18)36)25-32-17(15-40-25)13-37-11-5-7-22(37)26(38)39/h3-4,6,8-10,12,14-15,22H,2,5,7,11,13H2,1H3,(H,33,35)(H,38,39)/b34-24-/t22-/m0/s1
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| InChIKey |
BLEWCDXQEBLXPG-LNECNUOFSA-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