General Information of the Compound
| Compound ID |
CP0094229
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| Compound Name |
(S)-2-cyclohexyl-2-(2-(3-o-tolylureido)-2-naphthamido)acetic acid
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| Structure |
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| Formula |
C27H29N3O4
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| Molecular Weight |
459.546
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| Canonical SMILES |
Cc1ccccc1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O
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| InChI |
InChI=1S/C27H29N3O4/c1-17-9-5-8-14-22(17)28-27(34)29-23-16-20-13-7-6-12-19(20)15-21(23)25(31)30-24(26(32)33)18-10-3-2-4-11-18/h5-9,12-16,18,24H,2-4,10-11H2,1H3,(H,30,31)(H,32,33)(H2,28,29,34)/t24-/m0/s1
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| InChIKey |
RGPKRUTUTPCAPZ-DEOSSOPVSA-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