General Information of the Compound
| Compound ID |
CP0422019
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| Compound Name |
(3S)-3-amino-4-[(2R)-2-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
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| Synonyms |
CHEMBL507636
DprwFwLL-NH2
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| Structure |
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| Formula |
C58H78N14O10
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| Molecular Weight |
1131.35
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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](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CC(O)=O)C(N)=O
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| InChI |
InChI=1S/C58H78N14O10/c1-32(2)24-43(50(60)75)67-52(77)44(25-33(3)4)68-54(79)47(28-36-31-65-41-19-11-9-17-38(36)41)71-53(78)45(26-34-14-6-5-7-15-34)69-55(80)46(27-35-30-64-40-18-10-8-16-37(35)40)70-51(76)42(20-12-22-63-58(61)62)66-56(81)48-21-13-23-72(48)57(82)39(59)29-49(73)74/h5-11,14-19,30-33,39,42-48,64-65H,12-13,20-29,59H2,1-4H3,(H2,60,75)(H,66,81)(H,67,77)(H,68,79)(H,69,80)(H,70,76)(H,71,78)(H,73,74)(H4,61,62,63)/t39-,42+,43-,44-,45-,46+,47+,48+/m0/s1
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| InChIKey |
CZJDWLOOIMAJCD-JXDKTPIUSA-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