General Information of the Compound
| Compound ID |
CP0358675
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| Compound Name |
(2S)-3-(1H-indol-3-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
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| Structure |
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| Formula |
C28H26N4O4S2
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| Molecular Weight |
546.674
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C28H26N4O4S2/c1-18-7-13-22(14-8-18)38(34,35)32-25(15-20-16-29-24-6-4-3-5-23(20)24)27(33)31-28-30-26(17-37-28)19-9-11-21(36-2)12-10-19/h3-14,16-17,25,29,32H,15H2,1-2H3,(H,30,31,33)/t25-/m0/s1
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| InChIKey |
VLPGAOXBMXGNGM-VWLOTQADSA-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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