General Information of the Compound
| Compound ID |
CP0507666
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| Compound Name |
(4S)4-{[(4-{[(Dimethylamino)carbonyl]oxy}-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 |
C30H39N5O8
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| Molecular Weight |
597.669
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C30H39N5O8/c1-4-5-9-18-42-30(41)35-16-14-34(15-17-35)28(39)23(12-13-26(36)37)32-27(38)25-20-22(43-29(40)33(2)3)19-24(31-25)21-10-7-6-8-11-21/h6-8,10-11,19-20,23H,4-5,9,12-18H2,1-3H3,(H,32,38)(H,36,37)/t23-/m0/s1
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| InChIKey |
XLWSVQNTNCZCRR-QHCPKHFHSA-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