General Information of the Compound
| Compound ID |
CP0575193
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| Compound Name |
(1R,2S,5S)-N-[(2S)-4-(butylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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| Structure |
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| Formula |
C31H52N6O6
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| Molecular Weight |
604.793
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| Canonical SMILES |
CCCCNC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(C)C
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| InChI |
InChI=1S/C31H52N6O6/c1-10-11-13-32-26(41)22(38)19(15-17-12-14-33-24(17)39)34-25(40)21-20-18(31(20,8)9)16-37(21)27(42)23(29(2,3)4)35-28(43)36-30(5,6)7/h17-21,23H,10-16H2,1-9H3,(H,32,41)(H,33,39)(H,34,40)(H2,35,36,43)/t17-,18-,19-,20-,21-,23+/m0/s1
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| InChIKey |
AYCQZBSSSLAPTK-YVPXXBPTSA-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