General Information of the Compound
| Compound ID |
CP0506763
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| Compound Name |
propan-2-yl N-[(2S)-1-[(3S,3aS,6aR)-3-[(1-anilino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-difluoro-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C29H40F2N4O6
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| Molecular Weight |
578.657
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| Canonical SMILES |
CCCC(NC(=O)[C@@H]1[C@H]2CCC(F)(F)[C@H]2CN1C(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C(=O)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C29H40F2N4O6/c1-6-10-21(24(36)26(38)32-18-11-8-7-9-12-18)33-25(37)23-19-13-14-29(30,31)20(19)15-35(23)27(39)22(16(2)3)34-28(40)41-17(4)5/h7-9,11-12,16-17,19-23H,6,10,13-15H2,1-5H3,(H,32,38)(H,33,37)(H,34,40)/t19-,20-,21?,22-,23-/m0/s1
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| InChIKey |
MMEPFCPSICZTRG-CXFLKDOESA-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