General Information of the Compound
| Compound ID |
CP0383762
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| Compound Name |
(4S)4-{[(4-{[(4-Methylpiperazin-1-yl)carbonyl]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 |
C33H45N7O7
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| Molecular Weight |
651.765
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC(=O)N2CCN(C)CC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H45N7O7/c1-3-4-8-21-47-33(46)40-19-17-38(18-20-40)31(44)26(11-12-29(41)42)36-30(43)28-23-25(22-27(35-28)24-9-6-5-7-10-24)34-32(45)39-15-13-37(2)14-16-39/h5-7,9-10,22-23,26H,3-4,8,11-21H2,1-2H3,(H,36,43)(H,41,42)(H,34,35,45)/t26-/m0/s1
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| InChIKey |
VTSXJIYSFPNWPD-SANMLTNESA-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