General Information of the Compound
| Compound ID |
CP0552990
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| Compound Name |
4-(aminomethyl)-N-[(1S)-2-[(4-carbamoylphenyl)methylamino]-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]benzamide
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| Formula |
C31H30N4O4
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| Molecular Weight |
522.605
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| Canonical SMILES |
NCc1ccc(cc1)C(=O)N[C@H](C(=O)NCc1ccc(cc1)C(N)=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C31H30N4O4/c32-18-21-6-12-26(13-7-21)30(37)35-28(31(38)34-19-22-8-10-25(11-9-22)29(33)36)24-14-16-27(17-15-24)39-20-23-4-2-1-3-5-23/h1-17,28H,18-20,32H2,(H2,33,36)(H,34,38)(H,35,37)/t28-/m0/s1
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| InChIKey |
TYIVKTLINKDGED-NDEPHWFRSA-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