General Information of the Compound
| Compound ID |
CP0865375
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| Compound Name |
methyl N-[(2S)-1-[(2S)-2-[17-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-6,8-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),3,5(9),7,11,14(19),15,17-nonaen-7-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
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| Structure |
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| Formula |
C43H50N8O7
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| Molecular Weight |
790.922
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| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)COc2c-3ccc3c2ccc2nc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c23)[nH]1)C(C)C
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| InChI |
InChI=1S/C43H50N8O7/c1-22(2)34(48-42(54)56-5)40(52)50-17-7-9-32(50)38-44-20-31(46-38)24-11-12-26-25(19-24)21-58-37-28(26)14-13-27-29(37)15-16-30-36(27)47-39(45-30)33-10-8-18-51(33)41(53)35(23(3)4)49-43(55)57-6/h11-16,19-20,22-23,32-35H,7-10,17-18,21H2,1-6H3,(H,44,46)(H,45,47)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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| InChIKey |
OXGZSKDYWAHWDH-BBACVFHCSA-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