General Information of the Compound
| Compound ID |
CP0918470
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| Compound Name |
epsilon-FITC-DLys-Pro-Gly(PipAm)-Arg-Pro-Tyr-Ile-Leu-OH
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| Structure |
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| Formula |
C74H100N16O15S
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| Molecular Weight |
1485.778
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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](N)CCCCNC(=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/C74H100N16O15S/c1-5-39(4)59(66(97)86-54(71(102)103)33-38(2)3)87-63(94)53(34-40-15-22-44(91)23-16-40)85-64(95)55-13-10-32-90(55)70(101)52(12-8-30-82-72(78)79)84-67(98)60(41-17-19-42(20-18-41)62(76)77)88-65(96)56-14-9-31-89(56)69(100)51(75)11-6-7-29-81-68(99)61-47-35-43(83-73(80)106)21-26-48(47)74(105-61)49-27-24-45(92)36-57(49)104-58-37-46(93)25-28-50(58)74/h15-16,21-28,35-39,41-42,51-56,59-61,91-93H,5-14,17-20,29-34,75H2,1-4H3,(H3,76,77)(H,81,99)(H,84,98)(H,85,95)(H,86,97)(H,87,94)(H,88,96)(H,102,103)(H4,78,79,82)(H3,80,83,106)/t39-,41?,42?,51-,52-,53-,54-,55-,56-,59-,60-,61?/m0/s1
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| InChIKey |
UXCMQNVLJHCVKK-DOSTWRLVSA-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