General Information of the Compound
| Compound ID |
CP0865367
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| Compound Name |
methyl N-[(1R)-2-[(2S)-2-[17-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
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| Structure |
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| Formula |
C46H48N8O7
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| Molecular Weight |
824.939
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| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)COc2cc4c(ccc5nc([C@@H]6CCCN6C(=O)[C@H](NC(=O)OC)c6ccccc6)[nH]c54)cc2-3)[nH]1)C(C)C
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| InChI |
InChI=1S/C46H48N8O7/c1-25(2)38(51-45(57)59-3)43(55)53-18-8-12-35(53)41-47-23-34(49-41)28-14-16-30-29(20-28)24-61-37-22-31-27(21-32(30)37)15-17-33-40(31)50-42(48-33)36-13-9-19-54(36)44(56)39(52-46(58)60-4)26-10-6-5-7-11-26/h5-7,10-11,14-17,20-23,25,35-36,38-39H,8-9,12-13,18-19,24H2,1-4H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t35-,36-,38-,39+/m0/s1
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| InChIKey |
UVDRNMFWRGJGIM-HXSJKTFTSA-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