General Information of the Compound
| Compound ID |
CP0520804
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| Compound Name |
(3S)-3-[[1-[2-(2-tert-butylanilino)-2-oxoacetyl]pyrrolidine-3-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Structure |
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| Formula |
C28H29F4N3O7
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| Molecular Weight |
595.546
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| Canonical SMILES |
CC(C)(C)c1ccccc1NC(=O)C(=O)N1CCC(C1)C(=O)N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F
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| InChI |
InChI=1S/C28H29F4N3O7/c1-28(2,3)15-6-4-5-7-18(15)33-26(40)27(41)35-9-8-14(12-35)25(39)34-19(11-21(37)38)20(36)13-42-24-22(31)16(29)10-17(30)23(24)32/h4-7,10,14,19H,8-9,11-13H2,1-3H3,(H,33,40)(H,34,39)(H,37,38)/t14?,19-/m0/s1
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| InChIKey |
IMHASVNITGOHES-PKDNWHCCSA-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