General Information of the Compound
| Compound ID |
CP0457911
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| Compound Name |
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C43H68N10O7
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| Molecular Weight |
837.08
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2c1)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C43H68N10O7/c1-9-26(7)35(37(44)55)52-40(58)33(21-25(5)6)51-39(57)31(16-13-19-47-43(45)46)49-34(54)23-48-42(60)36(27(8)10-2)53-41(59)32(20-24(3)4)50-38(56)30-18-17-28-14-11-12-15-29(28)22-30/h11-12,14-15,17-18,22,24-27,31-33,35-36H,9-10,13,16,19-21,23H2,1-8H3,(H2,44,55)(H,48,60)(H,49,54)(H,50,56)(H,51,57)(H,52,58)(H,53,59)(H4,45,46,47)/t26-,27-,31-,32-,33-,35-,36-/m0/s1
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| InChIKey |
BQCCYUKFUFRCJR-KPGVIOAXSA-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