General Information of the Compound
| Compound ID |
CP0424543
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(morpholin-4-ylmethyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H36N6O7
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| Molecular Weight |
568.631
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CN2CCOCC2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H36N6O7/c1-2-41-28(39)34-12-10-33(11-13-34)27(38)22(8-9-24(35)36)31-26(37)23-18-21(19-32-14-16-40-17-15-32)29-25(30-23)20-6-4-3-5-7-20/h3-7,18,22H,2,8-17,19H2,1H3,(H,31,37)(H,35,36)/t22-/m0/s1
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| InChIKey |
ZBFVRVHQEDRTSZ-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