General Information of the Compound
| Compound ID |
CP0499432
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-6-amino-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
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| Structure |
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| Formula |
C61H116N18O11
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| Molecular Weight |
1277.714
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| Canonical SMILES |
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
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| InChI |
InChI=1S/C61H116N18O11/c1-32(2)26-43(70-39(15)80)53(84)74-45(28-34(5)6)55(86)76-47(30-36(9)10)57(88)78-48(31-37(11)12)58(89)77-46(29-35(7)8)56(87)75-44(27-33(3)4)54(85)72-42(22-19-25-69-61(66)67)52(83)79-49(38(13)14)59(90)73-41(20-16-17-23-62)51(82)71-40(50(63)81)21-18-24-68-60(64)65/h32-38,40-49H,16-31,62H2,1-15H3,(H2,63,81)(H,70,80)(H,71,82)(H,72,85)(H,73,90)(H,74,84)(H,75,87)(H,76,86)(H,77,89)(H,78,88)(H,79,83)(H4,64,65,68)(H4,66,67,69)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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| InChIKey |
MVUYPDVYGJZNMG-CUZNLEPHSA-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: PT01387, Furin
Protein ID: PT04551, Proprotein convertase subtilisin/kexin type 6