General Information of the Compound
| Compound ID |
CP0935313
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| Compound Name |
alpha,epsilon-Bis(FITC)-DLys-Pro-Gly(PipAm)-Arg-Pro-Tyr-Ile-Leu-OH
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| Structure |
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| Formula |
C96H114N18O20S2
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| Molecular Weight |
1904.208
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)NC(=O)C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=N)S)cc21)C1CCC(C(=N)N)CC1)C(=O)N[C@@H](CC(C)C)C(=O)O
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| InChI |
InChI=1S/C96H114N18O20S2/c1-5-48(4)77(85(123)110-70(91(129)130)39-47(2)3)111-82(120)69(40-49-15-23-54(115)24-16-49)109-83(121)71-13-9-37-113(71)90(128)68(12-8-36-104-92(99)100)107-86(124)78(50-17-19-51(20-18-50)81(97)98)112-84(122)72-14-10-38-114(72)89(127)67(108-88(126)80-60-42-53(106-94(102)136)22-30-62(60)96(134-80)65-33-27-57(118)45-75(65)132-76-46-58(119)28-34-66(76)96)11-6-7-35-103-87(125)79-59-41-52(105-93(101)135)21-29-61(59)95(133-79)63-31-25-55(116)43-73(63)131-74-44-56(117)26-32-64(74)95/h15-16,21-34,41-48,50-51,67-72,77-80,115-119H,5-14,17-20,35-40H2,1-4H3,(H3,97,98)(H,103,125)(H,107,124)(H,108,126)(H,109,121)(H,110,123)(H,111,120)(H,112,122)(H,129,130)(H4,99,100,104)(H3,101,105,135)(H3,102,106,136)/t48-,50?,51?,67-,68-,69-,70-,71-,72-,77-,78-,79?,80?/m0/s1
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| InChIKey |
SYDQZAXKBKNWCX-MTEBRZAJSA-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