General Information of the Compound
| Compound ID |
CP0851560
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| Compound Name |
(2S)-2-amino-N-[(1S)-2-[[(1S)-1-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-5-guanidino-pentanamide
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| Structure |
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| Formula |
C32H46N12O5
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| Molecular Weight |
678.799
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| Canonical SMILES |
N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C32H46N12O5/c33-22(6-3-13-39-31(35)36)28(47)44-26(16-19-17-41-23-7-2-1-5-21(19)23)30(49)42-24(8-4-14-40-32(37)38)29(48)43-25(27(34)46)15-18-9-11-20(45)12-10-18/h1-2,5,7,9-12,17,22,24-26,41,45H,3-4,6,8,13-16,33H2,(H2,34,46)(H,42,49)(H,43,48)(H,44,47)(H4,35,36,39)(H4,37,38,40)/t22-,24-,25-,26-/m0/s1
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| InChIKey |
OFTCQOAUGKRHIY-GKXKVECMSA-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