General Information of the Compound
| Compound ID |
CP0472749
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide
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| Structure |
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| Formula |
C28H49N11O5
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| Molecular Weight |
619.772
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| Canonical SMILES |
CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C28H49N11O5/c1-16(2)14-22(39-24(42)19(34-3)6-4-12-35-27(30)31)26(44)37-20(7-5-13-36-28(32)33)25(43)38-21(23(29)41)15-17-8-10-18(40)11-9-17/h8-11,16,19-22,34,40H,4-7,12-15H2,1-3H3,(H2,29,41)(H,37,44)(H,38,43)(H,39,42)(H4,30,31,35)(H4,32,33,36)/t19-,20-,21-,22-/m0/s1
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| InChIKey |
AGBBPVCMSXHJNT-CMOCDZPBSA-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
Protein ID: PT01611, Neuropeptide Y receptor type 2
Protein ID: PT01795, Neuropeptide Y receptor type 5