General Information of the Compound
| Compound ID |
CP0575684
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| Compound Name |
benzyl N-[(2S,3R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C29H42N4O7
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| Molecular Weight |
558.676
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| Canonical SMILES |
C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
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| InChI |
InChI=1S/C29H42N4O7/c1-18(40-29(2,3)4)24(33-28(38)39-17-20-8-6-5-7-9-20)27(37)32-23(14-19-10-11-19)26(36)31-22(16-34)15-21-12-13-30-25(21)35/h5-9,16,18-19,21-24H,10-15,17H2,1-4H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t18-,21+,22+,23+,24+/m1/s1
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| InChIKey |
DABXPLMLZXRFGM-HVURCESRSA-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