General Information of the Compound
| Compound ID |
CP0453781
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-5-amino-1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]pentanediamide
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| Structure |
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| Formula |
C26H40N10O5S
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| Molecular Weight |
604.738
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(=O)c1nc2ccccc2s1
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| InChI |
InChI=1S/C26H40N10O5S/c1-14(22(39)34-17(8-4-12-27)21(38)25-36-16-7-2-3-9-19(16)42-25)33-24(41)18(10-11-20(29)37)35-23(40)15(28)6-5-13-32-26(30)31/h2-3,7,9,14-15,17-18H,4-6,8,10-13,27-28H2,1H3,(H2,29,37)(H,33,41)(H,34,39)(H,35,40)(H4,30,31,32)/t14-,15-,17-,18-/m0/s1
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| InChIKey |
IITRUAXWGYJBIA-LAQRGFTBSA-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