General Information of the Compound
| Compound ID |
CP0532610
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| Compound Name |
(4S)-4-[[4-[(3R)-3-(dimethylcarbamoyl)pyrrolidin-1-yl]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C34H46N6O7
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| Molecular Weight |
650.777
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC[C@H](C1)C(=O)N(C)C
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| InChI |
InChI=1S/C34H46N6O7/c1-4-5-9-20-47-34(46)39-18-16-38(17-19-39)33(45)27(12-13-30(41)42)36-31(43)29-22-26(21-28(35-29)24-10-7-6-8-11-24)40-15-14-25(23-40)32(44)37(2)3/h6-8,10-11,21-22,25,27H,4-5,9,12-20,23H2,1-3H3,(H,36,43)(H,41,42)/t25-,27+/m1/s1
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| InChIKey |
ZZEDQWXGHNPZLK-VPUSJEBWSA-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