General Information of the Compound
| Compound ID |
CP0905326
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| Compound Name |
Arg-Arg-Pro-Hyp-Gly-Thi-Cys-Tic-Oic-Arg
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| Structure |
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| Formula |
C59H83N19O12S2
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| Molecular Weight |
1314.568
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O
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| InChI |
InChI=1S/C59H83N19O12S2/c60-37(14-5-19-67-57(61)62)48(81)72-38(15-6-20-68-58(63)64)52(85)75-22-8-18-43(75)54(87)77-30-35(79)26-44(77)50(83)70-28-47(80)71-40(27-36-13-9-23-92-36)49(82)74-41(31-91)53(86)76-29-34-12-2-1-10-32(34)24-46(76)55(88)78-42-17-4-3-11-33(42)25-45(78)51(84)73-39(56(89)90)16-7-21-69-59(65)66/h1-4,9-13,17,23,35,37-41,43-46,79,91H,5-8,14-16,18-22,24-31,60H2,(H,70,83)(H,71,80)(H,72,81)(H,73,84)(H,74,82)(H,89,90)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35-,37+,38+,39+,40+,41+,43+,44+,45-,46-/m1/s1
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| InChIKey |
SZMPTYLDFMNGEJ-OXNMUVKWSA-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