General Information of the Compound
| Compound ID |
CP0428173
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C27H33N5O7
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| Molecular Weight |
539.589
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)[C@H]1C[C@@H]1CO
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| InChI |
InChI=1S/C27H33N5O7/c1-2-39-27(38)32-12-10-31(11-13-32)26(37)20(8-9-23(34)35)30-25(36)22-15-21(19-14-18(19)16-33)28-24(29-22)17-6-4-3-5-7-17/h3-7,15,18-20,33H,2,8-14,16H2,1H3,(H,30,36)(H,34,35)/t18-,19+,20+/m1/s1
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| InChIKey |
CLFQIBKGKKHQHZ-AABGKKOBSA-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