General Information of the Compound
| Compound ID |
CP0384665
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
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| Synonyms |
CHEMBL500703
RwFwLL-NH2
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| Structure |
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| Formula |
C49H66N12O6
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| Molecular Weight |
919.145
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
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| InChI |
InChI=1S/C49H66N12O6/c1-28(2)21-38(43(51)62)57-45(64)39(22-29(3)4)59-48(67)42(25-32-27-56-37-19-11-9-16-34(32)37)61-46(65)40(23-30-13-6-5-7-14-30)60-47(66)41(24-31-26-55-36-18-10-8-15-33(31)36)58-44(63)35(50)17-12-20-54-49(52)53/h5-11,13-16,18-19,26-29,35,38-42,55-56H,12,17,20-25,50H2,1-4H3,(H2,51,62)(H,57,64)(H,58,63)(H,59,67)(H,60,66)(H,61,65)(H4,52,53,54)/t35-,38-,39-,40-,41+,42+/m0/s1
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| InChIKey |
GHJBYAJFOUQNRR-MQYLJLIZSA-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
Clinical Information about the Compound