General Information of the Compound
| Compound ID |
CP0547006
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| Compound Name |
3-[[(2S)-2-[[4-(2-methoxyphenoxy)benzoyl]amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]benzamide
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| Formula |
C36H31N3O6
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| Molecular Weight |
601.659
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| Canonical SMILES |
COc1ccccc1Oc1ccc(cc1)C(=O)N[C@H](C(=O)Nc1cccc(c1)C(N)=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C36H31N3O6/c1-43-31-12-5-6-13-32(31)45-30-20-16-26(17-21-30)35(41)39-33(36(42)38-28-11-7-10-27(22-28)34(37)40)25-14-18-29(19-15-25)44-23-24-8-3-2-4-9-24/h2-22,33H,23H2,1H3,(H2,37,40)(H,38,42)(H,39,41)/t33-/m0/s1
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| InChIKey |
BFWFCPGXEOBSTE-XIFFEERXSA-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