General Information of the Compound
| Compound ID |
CP0489117
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-4-[({4-[4-(hydroxymethyl)piperidin-1-yl]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
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| Structure |
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| Formula |
C30H39N5O7
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| Molecular Weight |
581.67
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CO)CC1
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| InChI |
InChI=1S/C30H39N5O7/c1-2-42-30(41)35-16-14-34(15-17-35)29(40)24(8-9-27(37)38)32-28(39)26-19-23(33-12-10-21(20-36)11-13-33)18-25(31-26)22-6-4-3-5-7-22/h3-7,18-19,21,24,36H,2,8-17,20H2,1H3,(H,32,39)(H,37,38)/t24-/m0/s1
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| InChIKey |
GZVSWSQWPBCMPY-DEOSSOPVSA-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