General Information of the Compound
| Compound ID |
CP0553630
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| Compound Name |
(2S)-N-[(2R)-1-[2-[[(2S)-1-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-2-(2-methylpropyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C47H61N11O6
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| Molecular Weight |
876.076
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| Canonical SMILES |
CC(C)CN(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C47H61N11O6/c1-29(2)28-58(57-46(63)41(55-43(60)38-20-12-22-50-38)25-32-27-52-36-18-9-7-16-34(32)36)47(64)56-40(24-31-26-51-35-17-8-6-15-33(31)35)45(62)54-39(23-30-13-4-3-5-14-30)44(61)53-37(42(49)59)19-10-11-21-48/h3-9,13-18,26-27,29,37-41,50-52H,10-12,19-25,28,48H2,1-2H3,(H2,49,59)(H,53,61)(H,54,62)(H,55,60)(H,56,64)(H,57,63)/t37-,38-,39+,40-,41+/m0/s1
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| InChIKey |
VWEZZLDFJFQGMG-ZQMFYLDSSA-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