General Information of the Compound
| Compound ID |
CP0544461
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| Compound Name |
(4S)-4-[[5-(2-cyclopropyl-2-oxoethoxy)-1-phenylpyrazole-3-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C27H33N5O8
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| Molecular Weight |
555.588
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)C2CC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H33N5O8/c1-2-39-27(38)31-14-12-30(13-15-31)26(37)20(10-11-24(34)35)28-25(36)21-16-23(40-17-22(33)18-8-9-18)32(29-21)19-6-4-3-5-7-19/h3-7,16,18,20H,2,8-15,17H2,1H3,(H,28,36)(H,34,35)/t20-/m0/s1
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| InChIKey |
ORMSOLPCVAXNFM-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