General Information of the Compound
| Compound ID |
CP0701670
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| Compound Name |
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[[(1R)-2-carbamoyl-1-(2-furyl)allyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-6-guanidino-hexanamide
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| Structure |
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| Formula |
C35H43N9O6
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| Molecular Weight |
685.786
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| Canonical SMILES |
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1
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| InChI |
InChI=1S/C35H43N9O6/c1-20(31(37)46)30(29-10-6-16-50-29)44-34(49)28(18-22-19-41-26-8-3-2-7-24(22)26)43-33(48)27(9-4-5-15-40-35(38)39)42-32(47)25(36)17-21-11-13-23(45)14-12-21/h2-3,6-8,10-14,16,19,25,27-28,30,41,45H,1,4-5,9,15,17-18,36H2,(H2,37,46)(H,42,47)(H,43,48)(H,44,49)(H4,38,39,40)/t25-,27+,28-,30+/m0/s1
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| InChIKey |
SAWCRWRDZHAHKP-RKDXIHMYSA-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