General Information of the Compound
| Compound ID |
CP0486820
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| Compound Name |
(S)-3-(4-(4-(3-ethoxy-3-oxopropyl)piperazin-1-yl)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C30H40N4O7S
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| Molecular Weight |
600.738
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| Canonical SMILES |
CCOC(=O)CCN1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C30H40N4O7S/c1-3-41-28(35)14-16-32-17-19-33(20-18-32)24-10-8-23(9-11-24)21-26(30(37)38)31-29(36)27-5-4-15-34(27)42(39,40)25-12-6-22(2)7-13-25/h6-13,26-27H,3-5,14-21H2,1-2H3,(H,31,36)(H,37,38)/t26-,27-/m0/s1
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| InChIKey |
TZXKLMVMNJVFHX-SVBPBHIXSA-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