General Information of the Compound
| Compound ID |
CP0562969
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| Compound Name |
(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-N-[(2S)-4-(ethylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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| Structure |
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| Formula |
C29H48N6O6
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| Molecular Weight |
576.739
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| Canonical SMILES |
CCNC(=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/C29H48N6O6/c1-10-30-24(39)20(36)17(13-15-11-12-31-22(15)37)32-23(38)19-18-16(29(18,8)9)14-35(19)25(40)21(27(2,3)4)33-26(41)34-28(5,6)7/h15-19,21H,10-14H2,1-9H3,(H,30,39)(H,31,37)(H,32,38)(H2,33,34,41)/t15-,16-,17-,18-,19-,21+/m0/s1
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| InChIKey |
YDBRWOPZWNUZRH-PUFBLQPOSA-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