General Information of the Compound
| Compound ID |
CP0507662
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-5-oxo-4-({[6-phenyl-4-(2-piperidin-2-ylethoxy)pyridin-2-yl]carbonyl}amino)pentanoicAcid
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| Structure |
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| Formula |
C33H45N5O7
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| Molecular Weight |
623.751
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCC2CCCCN2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H45N5O7/c1-2-3-20-45-33(43)38-18-16-37(17-19-38)32(42)27(12-13-30(39)40)36-31(41)29-23-26(44-21-14-25-11-7-8-15-34-25)22-28(35-29)24-9-5-4-6-10-24/h4-6,9-10,22-23,25,27,34H,2-3,7-8,11-21H2,1H3,(H,36,41)(H,39,40)/t25?,27-/m0/s1
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| InChIKey |
PVBRLPSUVBAWAQ-GPNIZQGCSA-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