General Information of the Compound
| Compound ID |
CP0495578
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| Compound Name |
3-[[4-[(1S)-1-[3-tert-butyl-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H33N3O4
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| Molecular Weight |
499.611
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)C(C)(C)C
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| InChI |
InChI=1S/C30H33N3O4/c1-19(20-6-8-21(9-7-20)29(36)31-15-14-28(34)35)33-26(18-27(32-33)30(2,3)4)24-11-10-23-17-25(37-5)13-12-22(23)16-24/h6-13,16-19H,14-15H2,1-5H3,(H,31,36)(H,34,35)/t19-/m0/s1
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| InChIKey |
URUPSHTUMQVTJI-IBGZPJMESA-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