General Information of the Compound
| Compound ID |
CP0448285
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-[(1R,2R)-2-(methoxymethyl)cyclopropyl]-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H35N5O7
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| Molecular Weight |
553.616
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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]1COC
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| InChI |
InChI=1S/C28H35N5O7/c1-3-40-28(38)33-13-11-32(12-14-33)27(37)21(9-10-24(34)35)31-26(36)23-16-22(20-15-19(20)17-39-2)29-25(30-23)18-7-5-4-6-8-18/h4-8,16,19-21H,3,9-15,17H2,1-2H3,(H,31,36)(H,34,35)/t19-,20+,21-/m0/s1
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| InChIKey |
OUIWTRAQIYSDCC-HBMCJLEFSA-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