General Information of the Compound
| Compound ID |
CP0503082
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| Compound Name |
3-[[4-[2-[5-chloro-1-(6-methoxynaphthalen-2-yl)indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C35H33ClN2O5
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| Molecular Weight |
597.111
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| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2cc(OC)ccc2c1
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| InChI |
InChI=1S/C35H33ClN2O5/c1-3-4-26(17-22-5-7-23(8-6-22)35(42)37-16-15-33(39)40)34(41)32-21-27-18-28(36)11-14-31(27)38(32)29-12-9-25-20-30(43-2)13-10-24(25)19-29/h5-14,18-21,26H,3-4,15-17H2,1-2H3,(H,37,42)(H,39,40)
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| InChIKey |
FDJJIEIXVPODKX-UHFFFAOYSA-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