General Information of the Compound
| Compound ID |
CP0383992
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-4-[({4-[(2-hydroxyethyl)methyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
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| Structure |
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| Formula |
C27H35N5O7
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| Molecular Weight |
541.605
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N(C)CCO
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| InChI |
InChI=1S/C27H35N5O7/c1-3-39-27(38)32-13-11-31(12-14-32)26(37)21(9-10-24(34)35)29-25(36)23-18-20(30(2)15-16-33)17-22(28-23)19-7-5-4-6-8-19/h4-8,17-18,21,33H,3,9-16H2,1-2H3,(H,29,36)(H,34,35)/t21-/m0/s1
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| InChIKey |
AMFNYBSTPDJKKA-NRFANRHFSA-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