General Information of the Compound
| Compound ID |
CP0473834
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| Compound Name |
(S)-4-(6-(tert-butylthio)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C30H41N5O6S
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| Molecular Weight |
599.754
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(SC(C)(C)C)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C30H41N5O6S/c1-5-6-10-19-41-29(40)35-17-15-34(16-18-35)28(39)22(13-14-25(36)37)32-27(38)23-20-24(42-30(2,3)4)33-26(31-23)21-11-8-7-9-12-21/h7-9,11-12,20,22H,5-6,10,13-19H2,1-4H3,(H,32,38)(H,36,37)/t22-/m0/s1
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| InChIKey |
YXIIRRACBAUCEG-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