General Information of the Compound
| Compound ID |
CP0413947
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| Compound Name |
(4S)-4-[[5-(3,3-dimethyl-2-oxobutoxy)-1-phenylpyrazole-3-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H37N5O8
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| Molecular Weight |
571.631
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)C(C)(C)C)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H37N5O8/c1-5-40-27(39)32-15-13-31(14-16-32)26(38)20(11-12-24(35)36)29-25(37)21-17-23(41-18-22(34)28(2,3)4)33(30-21)19-9-7-6-8-10-19/h6-10,17,20H,5,11-16,18H2,1-4H3,(H,29,37)(H,35,36)/t20-/m0/s1
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| InChIKey |
TYPZCJHOIWNBAR-FQEVSTJZSA-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