General Information of the Compound
| Compound ID |
CP0569246
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| Compound Name |
tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(7-ethenyl-6-methoxynaphthalen-2-yl)-4-methoxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C39H52N4O9S
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| Molecular Weight |
752.931
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| Canonical SMILES |
COc1cc2ccc(cc2cc1C=C)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC
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| InChI |
InChI=1S/C39H52N4O9S/c1-11-23-17-25-18-27(14-13-24(25)19-30(23)50-9)38(51-10)21-29(43(22-38)33(45)31(36(3,4)5)40-35(47)52-37(6,7)8)32(44)41-39(20-26(39)12-2)34(46)42-53(48,49)28-15-16-28/h11-14,17-19,26,28-29,31H,1-2,15-16,20-22H2,3-10H3,(H,40,47)(H,41,44)(H,42,46)/t26-,29+,31-,38+,39-/m1/s1
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| InChIKey |
QYHJWBSORSLLCG-JBVBFKAPSA-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