General Information of the Compound
| Compound ID |
CP0404488
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| Compound Name |
CFGGFTGARKCARK
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| Structure |
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| Formula |
C64H103N23O15S2
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| Molecular Weight |
1498.808
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| Canonical SMILES |
C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC1=O)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/C64H103N23O15S2/c1-35-53(93)82-44(23-15-27-74-64(71)72)58(98)84-42(21-11-13-25-66)59(99)86-47(61(101)79-36(2)54(94)83-43(22-14-26-73-63(69)70)57(97)81-41(52(68)92)20-10-12-24-65)34-104-103-33-40(67)55(95)85-45(28-38-16-6-4-7-17-38)56(96)76-30-48(89)75-31-50(91)80-46(29-39-18-8-5-9-19-39)60(100)87-51(37(3)88)62(102)77-32-49(90)78-35/h4-9,16-19,35-37,40-47,51,88H,10-15,20-34,65-67H2,1-3H3,(H2,68,92)(H,75,89)(H,76,96)(H,77,102)(H,78,90)(H,79,101)(H,80,91)(H,81,97)(H,82,93)(H,83,94)(H,84,98)(H,85,95)(H,86,99)(H,87,100)(H4,69,70,73)(H4,71,72,74)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1
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| InChIKey |
XNBSEJMSOXMIPH-HAWNEHGESA-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