General Information of the Compound
Compound ID |
CP0124495
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Compound Name |
(S)-3-((S)-2-{[(S)-2-Acetylamino-3-(1H-indol-3-yl)-propionyl]-methyl-amino}-propionylamino)-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid
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Structure |
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Formula |
C30H36N6O7
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Molecular Weight |
592.653
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Canonical SMILES |
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/C30H36N6O7/c1-17(36(3)30(43)25(33-18(2)37)14-20-16-32-22-12-8-7-11-21(20)22)28(41)35-24(15-26(38)39)29(42)34-23(27(31)40)13-19-9-5-4-6-10-19/h4-12,16-17,23-25,32H,13-15H2,1-3H3,(H2,31,40)(H,33,37)(H,34,42)(H,35,41)(H,38,39)/t17-,23-,24-,25-/m0/s1
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InChIKey |
XOGJUNSORVLOQY-JEQOYQROSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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