General Information of the Compound
| Compound ID |
CP0313070
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| Compound Name |
(S)-3-isopropoxy-2-(3-(3-mesitylureido)-2-naphthamido)propanoic acid
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| Structure |
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| Formula |
C27H31N3O5
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| Molecular Weight |
477.561
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| Canonical SMILES |
CC(C)OC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
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| InChI |
InChI=1S/C27H31N3O5/c1-15(2)35-14-23(26(32)33)28-25(31)21-12-19-8-6-7-9-20(19)13-22(21)29-27(34)30-24-17(4)10-16(3)11-18(24)5/h6-13,15,23H,14H2,1-5H3,(H,28,31)(H,32,33)(H2,29,30,34)/t23-/m0/s1
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| InChIKey |
QTDVWQHIDOETGM-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