General Information of the Compound
| Compound ID |
CP0571349
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| Compound Name |
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
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| Formula |
C58H98F6N14O19
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| Molecular Weight |
1409.489
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| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)NCCOCCOCCOCCOCCOCCOCCn1cc(COC)nn1
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| InChI |
InChI=1S/C54H96N14O15.2C2HF3O2/c1-8-39(6)47(65-51(73)44(33-38(4)5)64-52(74)45-14-11-19-83-45)53(75)60-34-46(69)61-42(13-10-16-59-54(56)57)49(71)63-43(32-37(2)3)50(72)62-41(12-9-15-55)48(70)58-17-20-77-22-24-79-26-28-81-30-31-82-29-27-80-25-23-78-21-18-68-35-40(36-76-7)66-67-68;2*3-2(4,5)1(6)7/h11,14,19,35,37-39,41-44,47H,8-10,12-13,15-18,20-34,36,55H2,1-7H3,(H,58,70)(H,60,75)(H,61,69)(H,62,72)(H,63,71)(H,64,74)(H,65,73)(H4,56,57,59);2*(H,6,7)/t39-,41-,42-,43-,44-,47-;;/m0../s1
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| InChIKey |
JOVMLDLJSRSKDP-GZPNYNOCSA-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