General Information of the Compound
| Compound ID |
CP0895101
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| Compound Name |
(S)-2-({2-[5-(2,8-Dimethyl-5H-dibenzo[a,d]cyclohepten-5-yl)-2-oxo-4-thioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-thiazole-4-carbonyl}-amino)-succinic acid
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| Structure |
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| Formula |
C30H26N4O6S2
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| Molecular Weight |
602.694
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| Canonical SMILES |
Cc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1cn(Cc2nc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cs2)c(=O)[nH]c1=S
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| InChI |
InChI=1S/C30H26N4O6S2/c1-15-3-7-19-17(9-15)5-6-18-10-16(2)4-8-20(18)26(19)21-12-34(30(40)33-28(21)41)13-24-31-23(14-42-24)27(37)32-22(29(38)39)11-25(35)36/h3-10,12,14,22,26H,11,13H2,1-2H3,(H,32,37)(H,35,36)(H,38,39)(H,33,40,41)/t22-/m0/s1
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| InChIKey |
FBNIGOQFNBAURR-QFIPXVFZSA-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