General Information of the Compound
| Compound ID |
CP0487862
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| Compound Name |
(2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C41H53N5O8
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| Molecular Weight |
743.902
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C41H53N5O8/c1-26(2)22-31(37(49)45-34(39(51)52)25-30-20-14-9-15-21-30)44-38(50)32(23-28-16-10-7-11-17-28)43-35(47)27(3)42-36(48)33(24-29-18-12-8-13-19-29)46-40(53)54-41(4,5)6/h7-21,26-27,31-34H,22-25H2,1-6H3,(H,42,48)(H,43,47)(H,44,50)(H,45,49)(H,46,53)(H,51,52)/t27-,31+,32-,33-,34-/m0/s1
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| InChIKey |
GGIVJYIFEJQWQT-CWZUQRNKSA-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