General Information of the Compound
| Compound ID |
CP0481413
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| Compound Name |
(2S)-2-amino-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
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| Structure |
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| Formula |
C37H65N17O9
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| Molecular Weight |
892.037
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
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| InChI |
InChI=1S/C37H65N17O9/c1-19(2)14-25(32(60)53-26(17-55)33(61)51-24(29(40)57)15-20-16-45-18-48-20)52-31(59)22(6-3-11-46-36(41)42)49-34(62)27-8-5-13-54(27)35(63)23(7-4-12-47-37(43)44)50-30(58)21(38)9-10-28(39)56/h16,18-19,21-27,55H,3-15,17,38H2,1-2H3,(H2,39,56)(H2,40,57)(H,45,48)(H,49,62)(H,50,58)(H,51,61)(H,52,59)(H,53,60)(H4,41,42,46)(H4,43,44,47)/t21-,22-,23-,24-,25-,26-,27-/m0/s1
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| InChIKey |
STKDSCPSNDONKU-DUJSLOSMSA-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