General Information of the Compound
| Compound ID |
CP0245902
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| Compound Name |
(S)-3-((S)-2-{[(S)-2-Acetylamino-3-(1H-indol-3-yl)-propionyl]-methyl-amino}-4-methyl-pentanoylamino)-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid
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| Structure |
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| Formula |
C33H42N6O7
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| Molecular Weight |
634.734
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| Canonical SMILES |
CC(C)C[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C33H42N6O7/c1-19(2)14-28(39(4)33(46)27(36-20(3)40)16-22-18-35-24-13-9-8-12-23(22)24)32(45)38-26(17-29(41)42)31(44)37-25(30(34)43)15-21-10-6-5-7-11-21/h5-13,18-19,25-28,35H,14-17H2,1-4H3,(H2,34,43)(H,36,40)(H,37,44)(H,38,45)(H,41,42)/t25-,26-,27-,28-/m0/s1
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| InChIKey |
MVCICMZJXNZUCN-LJWNLINESA-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