General Information of the Compound
| Compound ID |
CP0452822
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C29H39N7O7
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| Molecular Weight |
597.673
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCN2CCOCC2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H39N7O7/c1-2-43-29(41)36-14-12-35(13-15-36)28(40)22(8-9-25(37)38)32-27(39)23-20-24(30-10-11-34-16-18-42-19-17-34)33-26(31-23)21-6-4-3-5-7-21/h3-7,20,22H,2,8-19H2,1H3,(H,32,39)(H,37,38)(H,30,31,33)/t22-/m0/s1
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| InChIKey |
CUBJEBATFWEAEL-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