General Information of the Compound
| Compound ID |
CP0378691
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| Compound Name |
prop-2-enyl N-[(4S)-5-amino-4-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[[(2S,3S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentyl]carbamate
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| Structure |
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| Formula |
C40H67N11O10
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| Molecular Weight |
862.043
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=O)OCC=C)C(N)=O
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| InChI |
InChI=1S/C40H67N11O10/c1-8-18-61-40(59)45-17-10-13-26(33(41)53)48-35(55)28(20-23(3)4)49-34(54)27(14-11-16-44-39(42)43)47-31(52)22-46-38(58)32(25(7)9-2)51-36(56)29(21-24(5)6)50-37(57)30-15-12-19-60-30/h8,12,15,19,23-29,32H,1,9-11,13-14,16-18,20-22H2,2-7H3,(H2,41,53)(H,45,59)(H,46,58)(H,47,52)(H,48,55)(H,49,54)(H,50,57)(H,51,56)(H4,42,43,44)/t25-,26-,27-,28-,29-,32-/m0/s1
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| InChIKey |
SBGNADOLHLWOHH-CEQHRARPSA-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