General Information of the Compound
| Compound ID |
CP0375952
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| Compound Name |
CFGGFTCARKSARK
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| Structure |
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| Formula |
C65H107N23O16S2
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| Molecular Weight |
1530.85
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| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C65H107N23O16S2/c1-35(53(94)82-43(22-14-26-74-64(70)71)57(98)81-41(52(69)93)20-10-12-24-66)78-61(102)47(32-89)86-59(100)42(21-11-13-25-67)84-58(99)44(23-15-27-75-65(72)73)83-54(95)36(2)79-62(103)48(34-106)87-63(104)51(37(3)90)88-60(101)46(29-39-18-8-5-9-19-39)80-50(92)31-76-49(91)30-77-56(97)45(85-55(96)40(68)33-105)28-38-16-6-4-7-17-38/h4-9,16-19,35-37,40-48,51,89-90,105-106H,10-15,20-34,66-68H2,1-3H3,(H2,69,93)(H,76,91)(H,77,97)(H,78,102)(H,79,103)(H,80,92)(H,81,98)(H,82,94)(H,83,95)(H,84,99)(H,85,96)(H,86,100)(H,87,104)(H,88,101)(H4,70,71,74)(H4,72,73,75)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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| InChIKey |
VICQQBALNUQPGD-VJCCQZEDSA-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