General Information of the Compound
| Compound ID |
CP0421924
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| Compound Name |
(S)-4-((1-carboxy-2-(4-(4-phenylpiperazin-1-yl)phenyl)ethyl)carbamoyl)-3,5-dichlorobenzoic acid
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| Structure |
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| Formula |
C27H25Cl2N3O5
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| Molecular Weight |
542.419
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(Cl)cc(cc1Cl)C(O)=O
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| InChI |
InChI=1S/C27H25Cl2N3O5/c28-21-15-18(26(34)35)16-22(29)24(21)25(33)30-23(27(36)37)14-17-6-8-20(9-7-17)32-12-10-31(11-13-32)19-4-2-1-3-5-19/h1-9,15-16,23H,10-14H2,(H,30,33)(H,34,35)(H,36,37)/t23-/m0/s1
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| InChIKey |
HGUWOMZELHHUQV-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