General Information of the Compound
| Compound ID |
CP0484737
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| Compound Name |
methyl (2R,4S,7S)-7-tert-butyl-4-[[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]carbamoyl]-2,19-dimethoxy-6,9-dioxo-10,17-dioxa-5,8,13-triazatetracyclo[16.5.3.12,5.021,25]heptacosa-1(24),18,20,22,25-pentaene-13-carboxylate
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| Structure |
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| Formula |
C41H55N5O12S
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| Molecular Weight |
841.981
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| Canonical SMILES |
COC(=O)N1CCCOc2cc3cc(ccc3cc2OC)[C@@]2(C[C@H](N(C2)C(=O)[C@@H](NC(=O)OCC1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC
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| InChI |
InChI=1S/C41H55N5O12S/c1-39(2,3)33-35(48)46-23-40(56-6,22-30(46)34(47)43-41(21-29(41)24-8-9-24)36(49)44-59(52,53)28-12-13-28)27-11-10-25-19-31(54-4)32(20-26(25)18-27)57-16-7-14-45(38(51)55-5)15-17-58-37(50)42-33/h10-11,18-20,24,28-30,33H,7-9,12-17,21-23H2,1-6H3,(H,42,50)(H,43,47)(H,44,49)/t29-,30-,33+,40-,41+/m0/s1
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| InChIKey |
GOWPHUBXGVKBFH-VJWLJVAUSA-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