General Information of the Compound
| Compound ID |
CP0499961
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| Compound Name |
(4S,7S,10S,13R)-13-(3-Guanidino-propionylamino)-10-(3-guanidino-propyl)-11-methyl-7-naphthalen-2-ylmethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid [2-(4-hydroxy-phenyl)-ethyl]-amide
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| Structure |
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| Formula |
C38H51N11O6S2
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| Molecular Weight |
822.031
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| Canonical SMILES |
CN1[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CSSC[C@H](NC(=O)CCNC(N)=N)C1=O)C(=O)NCCc1ccc(O)cc1
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| InChI |
InChI=1S/C38H51N11O6S2/c1-49-31(7-4-16-44-37(39)40)35(54)47-28(20-24-8-11-25-5-2-3-6-26(25)19-24)34(53)48-29(33(52)43-17-14-23-9-12-27(50)13-10-23)21-56-57-22-30(36(49)55)46-32(51)15-18-45-38(41)42/h2-3,5-6,8-13,19,28-31,50H,4,7,14-18,20-22H2,1H3,(H,43,52)(H,46,51)(H,47,54)(H,48,53)(H4,39,40,44)(H4,41,42,45)/t28-,29+,30-,31-/m0/s1
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| InChIKey |
MARRJEHZNHPBTI-JVVMDBNWSA-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