General Information of the Compound
| Compound ID |
CP0237999
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| Compound Name |
(S)-2-(3-(3-mesitylureido)-2-naphthamido)-3-(neopentyloxy)propanoic acid
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| Structure |
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| Formula |
C29H35N3O5
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| Molecular Weight |
505.615
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| Canonical SMILES |
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](COCC(C)(C)C)C(O)=O)c(C)c1
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| InChI |
InChI=1S/C29H35N3O5/c1-17-11-18(2)25(19(3)12-17)32-28(36)31-23-14-21-10-8-7-9-20(21)13-22(23)26(33)30-24(27(34)35)15-37-16-29(4,5)6/h7-14,24H,15-16H2,1-6H3,(H,30,33)(H,34,35)(H2,31,32,36)/t24-/m0/s1
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| InChIKey |
QVJHMRWWDUKACM-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