General Information of the Compound
| Compound ID |
CP0543097
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| Compound Name |
(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-N-[(2S)-4-(cyclopropylamino)-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 |
C30H48N6O6
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| Molecular Weight |
588.75
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| Canonical SMILES |
CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1)C2(C)C)C(C)(C)C
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| InChI |
InChI=1S/C30H48N6O6/c1-28(2,3)22(34-27(42)35-29(4,5)6)26(41)36-14-17-19(30(17,7)8)20(36)24(39)33-18(13-15-11-12-31-23(15)38)21(37)25(40)32-16-9-10-16/h15-20,22H,9-14H2,1-8H3,(H,31,38)(H,32,40)(H,33,39)(H2,34,35,42)/t15-,17-,18-,19-,20-,22+/m0/s1
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| InChIKey |
RUVGZALICBDNOH-HLNPNVFCSA-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