General Information of the Compound
| Compound ID |
CP0421433
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| Compound Name |
(S)-2-{(2S,3S)-2-[(S)-2-[((S)-1-{(S)-5-[2-(2-Amino-ethylamino)-ethylamino]-2-azido-pentanoyl}-pyrrolidine-2-carbonyl)-amino]-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C35H58N10O7
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| Molecular Weight |
730.912
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCNCCN)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C35H58N10O7/c1-5-23(4)30(33(49)41-28(35(51)52)20-22(2)3)42-31(47)27(21-24-10-12-25(46)13-11-24)40-32(48)29-9-7-19-45(29)34(50)26(43-44-37)8-6-15-38-17-18-39-16-14-36/h10-13,22-23,26-30,38-39,46H,5-9,14-21,36H2,1-4H3,(H,40,48)(H,41,49)(H,42,47)(H,51,52)/t23-,26-,27-,28-,29-,30-/m0/s1
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| InChIKey |
MSKWRWNESOYWSP-OBXVVNIGSA-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