General Information of the Compound
| Compound ID |
CP0481512
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-[({4-[(2-hydroxyethyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
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| Structure |
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| Formula |
C26H33N5O7
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| Molecular Weight |
527.578
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCO)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C26H33N5O7/c1-2-38-26(37)31-13-11-30(12-14-31)25(36)20(8-9-23(33)34)29-24(35)22-17-19(27-10-15-32)16-21(28-22)18-6-4-3-5-7-18/h3-7,16-17,20,32H,2,8-15H2,1H3,(H,27,28)(H,29,35)(H,33,34)/t20-/m0/s1
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| InChIKey |
VJCPWAGJJGLJKV-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