General Information of the Compound
| Compound ID |
CP0492726
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| Compound Name |
(4S)-4-({[4-(Cyclohexylmethyl)-6-phenylpyridin-2-yl]carbonyl}-amino)-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C34H46N4O6
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| Molecular Weight |
606.764
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CC2CCCCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H46N4O6/c1-2-3-10-21-44-34(43)38-19-17-37(18-20-38)33(42)28(15-16-31(39)40)36-32(41)30-24-26(22-25-11-6-4-7-12-25)23-29(35-30)27-13-8-5-9-14-27/h5,8-9,13-14,23-25,28H,2-4,6-7,10-12,15-22H2,1H3,(H,36,41)(H,39,40)/t28-/m0/s1
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| InChIKey |
VPNRFNXGBHPYEB-NDEPHWFRSA-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