General Information of the Compound
| Compound ID |
CP0522018
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| Compound Name |
(4S)4-[({4-[(2-Methoxyethyl)methyl)amino]-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 |
C31H43N5O7
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| Molecular Weight |
597.713
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N(C)CCOC
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| InChI |
InChI=1S/C31H43N5O7/c1-4-5-9-19-43-31(41)36-16-14-35(15-17-36)30(40)25(12-13-28(37)38)33-29(39)27-22-24(34(2)18-20-42-3)21-26(32-27)23-10-7-6-8-11-23/h6-8,10-11,21-22,25H,4-5,9,12-20H2,1-3H3,(H,33,39)(H,37,38)/t25-/m0/s1
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| InChIKey |
KKSJAEIYZFSFAS-VWLOTQADSA-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