General Information of the Compound
| Compound ID |
CP0534116
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| Compound Name |
4-[[(2S)-1-[(2R)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C86H146N28O21
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| Molecular Weight |
1908.289
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)CCC(O)=O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
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| InChI |
InChI=1S/C86H146N28O21/c1-46(2)37-57(78(131)113-86(4,5)82(135)112-68(47(3)116)80(133)105-54(27-17-35-99-85(94)95)70(123)103-55(29-30-64(87)117)73(126)102-52(25-15-33-97-83(90)91)71(124)106-56(69(89)122)38-48-19-9-6-10-20-48)107-77(130)61(42-65(88)118)111-75(128)59(40-50-23-13-8-14-24-50)108-74(127)58(39-49-21-11-7-12-22-49)109-76(129)60(41-51-43-96-45-100-51)110-72(125)53(26-16-34-98-84(92)93)104-79(132)63-28-18-36-114(63)81(134)62(44-115)101-66(119)31-32-67(120)121/h43,45-50,52-63,68,115-116H,6-42,44H2,1-5H3,(H2,87,117)(H2,88,118)(H2,89,122)(H,96,100)(H,101,119)(H,102,126)(H,103,123)(H,104,132)(H,105,133)(H,106,124)(H,107,130)(H,108,127)(H,109,129)(H,110,125)(H,111,128)(H,112,135)(H,113,131)(H,120,121)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t47-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,68+/m1/s1
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| InChIKey |
YULCRADTUQIZIP-VYPVEMEHSA-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