General Information of the Compound
| Compound ID |
CP0459371
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| Compound Name |
(1S,5S)-4-Methoxymethoxy-2-((S)-3-methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid ((R)-1-cyclopropylaminooxalyl-butyl)-amide
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| Structure |
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| Formula |
C34H51N7O8
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| Molecular Weight |
685.823
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| Canonical SMILES |
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@@H](OCOC)C2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1
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| InChI |
InChI=1S/C34H51N7O8/c1-7-8-23(29(42)33(46)37-20-9-10-20)38-32(45)28-21-11-12-25(49-17-48-6)22(21)16-41(28)34(47)27(19(4)5)40-31(44)26(18(2)3)39-30(43)24-15-35-13-14-36-24/h13-15,18-23,25-28H,7-12,16-17H2,1-6H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t21-,22?,23?,25+,26-,27-,28-/m0/s1
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| InChIKey |
MYVKWDPXGRYVHO-ONKXPNHESA-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