General Information of the Compound
| Compound ID |
CP0382358
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| Compound Name |
(3-(Ser-Thi-Gly-Hyp-Pro-Arg-D-Arg-H)-3,5-dibenzyl-2,4-dioxo-pyrrolidin-1-yl)-acetyl-(Arg-OH)
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| Structure |
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| Formula |
C60H85N19O14S
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| Molecular Weight |
1328.526
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| Canonical SMILES |
N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@]1(Cc2ccccc2)C(=O)C(Cc2ccccc2)N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O
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| InChI |
InChI=1S/C60H85N19O14S/c61-38(17-7-21-68-57(62)63)49(85)74-39(18-8-22-69-58(64)65)53(89)77-24-10-20-43(77)54(90)78-31-36(81)27-45(78)52(88)71-30-46(82)73-41(28-37-16-11-25-94-37)50(86)75-42(33-80)51(87)76-60(29-35-14-5-2-6-15-35)48(84)44(26-34-12-3-1-4-13-34)79(56(60)93)32-47(83)72-40(55(91)92)19-9-23-70-59(66)67/h1-6,11-16,25,36,38-45,80-81H,7-10,17-24,26-33,61H2,(H,71,88)(H,72,83)(H,73,82)(H,74,85)(H,75,86)(H,76,87)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t36?,38-,39+,40+,41+,42+,43+,44?,45+,60-/m1/s1
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| InChIKey |
ZNENTSQJHJVYJV-WJUMESMFSA-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